Min Pa: Min Pa(max): Activity's type:

Ext Pa Pi Pmax Activity Other Results ID Pa_max
0.7730.0050.773Aldehyde oxidase inhibitor

0.668 0.011 CID_999

0.740.0020.74Tyrosine 3 hydroxylase inhibitor

0.598 0.003 CID_999

0.730.0020.73Glutamate decarboxylase inhibitor

0.532 0.002 CID_999

0.680.0030.68Alcohol oxidase inhibitor

0.594 0.003 CID_999

0.6910.0250.691Caspase 9 stimulant

0.577 0.04 CID_999

0.6390.0040.639Peroxidase inhibitor

0.525 0.008 CID_999

0.650.020.719Cyclophilin D inhibitor

0.719 0.012 CID_999

CID_999
0.6110.0090.611Histamine release inhibitor

0.589 0.011 CID_999

0.5980.0070.598Superoxide dismutase inhibitor

0.504 0.013 CID_999

0.6070.0180.607Cholesterol antagonist

0.571 0.022 CID_999

0.5920.0120.5975 Hydroxytryptamine release inhibitor

0.597 0.011 CID_999

CID_999
0.5760.0030.715GABA C receptor agonist

0.715 0.002 CID_999

CID_999
0.5760.0040.834Prostaglandin antagonist

0.834 0.003 CID_999

CID_999
0.5760.0170.6125 Hydroxytryptamine release stimulant

0.612 0.013 CID_999

CID_999
0.5520.0050.554Anesthetic general

0.554 0.005 CID_999

CID_999
0.5430.0020.543Phenylalanine 4-hydroxylase inhibitor

0.404 0.003 CID_999

0.5380.0020.538Histidine decarboxylase inhibitor

0.468 0.003 CID_999

0.5150.0040.5155 Hydroxytryptamine uptake stimulant

0.514 0.004 CID_999

0.570.0620.578Antiinflammatory

0.578 0.06 CID_999

CID_999
0.5090.0040.509Cystathionine beta-synthase inhibitor

0.346 0.007 CID_999

0.520.0210.52GABA C receptor rho-3 antagonist

0.51 0.023 CID_999

0.5220.0260.524Antithrombotic

0.524 0.026 CID_999

CID_999
0.4990.0050.706Alpha-N-acetylglucosaminidase inhibitor

0.706 0.003 CID_999

CID_999
0.5290.040.529Transcription factor NF kappa B inhibitor

0.412 0.061 CID_999

0.5120.0240.512Calcium channel L-type activator

0.501 0.027 CID_999

0.5160.0290.633Toll-Like receptor 7 agonist

0.633 0.014 CID_999

CID_999
0.510.030.63Toll-Like receptor agonist

0.63 0.014 CID_999

CID_999
0.4810.0030.801Prostaglandin D2 antagonist

0.801 0.002 CID_999

CID_999
0.4870.0090.521Interleukin 2 agonist

0.521 0.006 CID_999

CID_999
0.4930.0160.493Hypoglycemic

0.477 0.017 CID_999

0.4670.0110.476Interleukin agonist

0.476 0.01 CID_999

CID_999
0.4680.0170.605Platelet antagonist

0.605 0.006 CID_999

CID_999
0.4490.0040.512Porphobilinogen synthase inhibitor

0.512 0.003 CID_999

CID_999
0.4520.0070.453Sodium/bile acid cotransporter inhibitor

0.453 0.007 CID_999

CID_999
0.4560.0210.456Free radical scavenger

0.24 0.073 CID_999

0.4380.010.439Non-steroidal antiinflammatory agent

0.439 0.01 CID_999

CID_999
0.4460.0270.446Antioxidant

0.252 0.082 CID_999

0.4320.0150.434Calcium channel activator

0.434 0.014 CID_999

CID_999
0.4220.0080.422Amylase inhibitor

0.32 0.016 CID_999

0.4520.040.452Vasodilator, peripheral

0.449 0.041 CID_999

0.4180.0090.418Phospholipase C inhibitor

0.343 0.015 CID_999

0.4370.0290.437Lipoxygenase inhibitor

0.309 0.067 CID_999

0.4230.0270.423Interleukin antagonist

0.404 0.03 CID_999

0.3910.0020.391DOPA decarboxylase inhibitor

0.316 0.002 CID_999

0.3940.0070.394Insulin sensitizer

0.362 0.008 CID_999

0.4060.0240.465Hypolipemic

0.465 0.016 CID_999

CID_999
0.3810.0070.381Neurotrophic factor enhancer

0.303 0.017 CID_999

0.420.050.42Thyroid hormone antagonist

0.374 0.065 CID_999

0.3730.0050.4Succinate dehydrogenase inhibitor

0.4 0.004 CID_999

CID_999
0.390.0240.39Insulysin inhibitor

0.387 0.024 CID_999

0.3660.0040.366Cyclooxygenase 3 inhibitor

0.311 0.005 CID_999

0.360.0080.451Insulin secretagoues

0.451 0.005 CID_999

CID_999
0.3530.0140.353Monophenol monooxygenase inhibitor

0.203 0.032 CID_999

0.410.070.4115-Lipoxygenase inhibitor

0.291 0.138 CID_999

0.350.0130.35Glyceraldehyde-3-phosphate dehydrogenase inhibitor

0.305 0.022 CID_999

0.3450.0120.396Gastrin inhibitor

0.396 0.005 CID_999

CID_999
0.340.0080.34Cholesterol synthesis inhibitor

0.314 0.01 CID_999

0.370.0490.3712-Lipoxygenase inhibitor

0.259 0.104 CID_999

0.3470.0260.347Cyclic AMP phosphodiesterase inhibitor

0.341 0.028 CID_999

0.3340.0180.334Melanin inhibitor

0.21 0.037 CID_999

0.3230.0120.333Cyclooxygenase 1 inhibitor

0.333 0.011 CID_999

CID_999
0.3150.0060.49Ferrochelatase inhibitor

0.49 0.003 CID_999

CID_999
0.3190.0110.319Phospholipase A2 inhibitor

0.3 0.014 CID_999

0.3120.0040.312Creatine kinase inhibitor

0.244 0.006 CID_999

0.370.0620.37Thyroid hormone beta antagonist

0.326 0.077 CID_999

0.3180.0170.318Interferon gamma antagonist

0.285 0.022 CID_999

0.3540.0540.354Apoptosis antagonist

0.32 0.073 CID_999

0.3520.0540.352Vasodilator, coronary

0.335 0.063 CID_999

0.3020.0060.419UDP-N-acetylglucosamine 1-carboxyvinyltransferase inhibitor

0.419 0.004 CID_999

CID_999
0.3030.0080.303Interleukin 4 antagonist

0.241 0.014 CID_999

0.330.0350.338Psychostimulant

0.338 0.034 CID_999

CID_999
0.3480.0530.348Spasmolytic

0.311 0.066 CID_999

0.3020.0120.302Aldehyde dehydrogenase inhibitor

0.252 0.018 CID_999

0.2920.0070.37Adenylate kinase inhibitor

0.37 0.004 CID_999

CID_999
0.2870.0050.385Peroxisome proliferator-activated receptor gamma agonist

0.385 0.004 CID_999

CID_999
0.2940.0130.294Nitric-oxide synthase stimulant

0.277 0.018 CID_999

0.3110.0310.314Platelet adhesion inhibitor

0.314 0.03 CID_999

CID_999
0.3060.0260.306DNA methylase inhibitor

0.279 0.035 CID_999

0.3440.0660.344Immunostimulant

0.329 0.071 CID_999

0.2820.0060.282Carbonic anhydrase III inhibitor

0.2 0.016 CID_999

0.30.0260.3DNA methyltransferase I inhibitor

0.272 0.037 CID_999

0.2780.0050.278Interleukin 8 antagonist

0.267 0.005 CID_999

0.2780.0050.393Triose-phosphate isomerase inhibitor

0.393 0.003 CID_999

CID_999
0.2760.0040.276HIV-1 integrase (Overall Integration) inhibitor

0.269 0.004 CID_999

0.2720.0050.298Aldose reductase inhibitor

0.298 0.004 CID_999

CID_999
0.2740.010.274Expectorant

0.249 0.013 CID_999

0.270.0060.27Alcohol dehydrogenase inhibitor

0.236 0.009 CID_999

0.2780.0150.278NADPH oxidase inhibitor

0.195 0.036 CID_999

0.3190.0570.319Hypoxia-inducible factor 1 alpha inhibitor

0.246 0.105 CID_999

0.2810.020.31Cyclooxygenase inhibitor

0.31 0.016 CID_999

CID_999
0.2630.0050.263Mucolytic

0.253 0.006 CID_999

0.2660.0080.318Catalase inhibitor

0.318 0.005 CID_999

CID_999
0.2660.0090.271Catenin beta inhibitor

0.271 0.008 CID_999

CID_999
0.2910.0340.321Growth hormone agonist

0.321 0.028 CID_999

CID_999
0.2650.0080.265NMDA receptor antagonist

0.216 0.012 CID_999

0.2860.0310.286Dual specificity phosphatase 3 inhibitor

0.257 0.038 CID_999

0.3010.0490.301Angiogenesis stimulant

0.262 0.065 CID_999

0.2570.0050.257Keratolytic

0.187 0.009 CID_999

0.2760.0240.276Protein-tyrosine phosphatase inhibitor

0.264 0.027 CID_999

0.2560.0050.257Arachidonic acid antagonist

0.257 0.004 CID_999

CID_999
0.2610.0110.261ATPase inhibitor

0.25 0.014 CID_999

0.2570.0080.257Carbonic anhydrase VI inhibitor

0.164 0.018 CID_999

0.2510.0050.251TRPA1 agonist

0.2 0.01 CID_999

0.2520.0080.252Potassium channel (Ca-activated) activator

0.233 0.009 CID_999

0.2460.0030.246GABA B receptor agonist

0.188 0.004 CID_999

0.2480.0050.248Vanilloid 1 agonist

0.209 0.01 CID_999

0.2460.0040.246GABA aminotransferase inhibitor

0.208 0.004 CID_999

0.2640.0230.264Protein kinase stimulant

0.222 0.034 CID_999

0.250.0090.25Toll-Like receptor 2 antagonist

0.208 0.02 CID_999

0.2550.0150.2555-Lipoxygenase inhibitor

0.183 0.028 CID_999

0.2580.020.258Neurotensin receptor agonist

0.235 0.024 CID_999

0.2510.0150.398Cell adhesion inhibitor

0.398 0.005 CID_999

CID_999
0.2380.0040.312Peroxisome proliferator-activated receptor delta antagonist

0.312 0.003 CID_999

CID_999
0.240.0070.256Photosensitizer

0.256 0.005 CID_999

CID_999
0.2670.0340.267Dual specificity phosphatase inhibitor

0.227 0.044 CID_999

0.2350.0040.235NMDA receptor subunit 3B antagonist

0.206 0.004 CID_999

0.2380.0070.338ABCA1 expression enhancer

0.338 0.005 CID_999

CID_999
0.2380.0070.306GABA C receptor antagonist

0.306 0.004 CID_999

CID_999
0.2330.0050.233Adenylate cyclase stimulant

0.216 0.008 CID_999

0.2540.0260.254Lipid peroxidase inhibitor

0.127 0.087 CID_999

0.3260.10.359Immunosuppressant

0.359 0.082 CID_999

CID_999
0.230.0050.23Prolactin inhibitor

0.195 0.009 CID_999

0.230.0050.334Prostaglandin EP2 antagonist

0.334 0.004 CID_999

CID_999
0.250.0250.25Bone formation stimulant

0.242 0.026 CID_999

0.2370.0130.237Farnesoid X receptor antagonist

0.176 0.031 CID_999

0.2230.0050.236Sphingosine 1-phosphate receptor 5 antagonist

0.236 0.004 CID_999

CID_999
0.2720.0540.306DNA synthesis inhibitor

0.306 0.041 CID_999

CID_999
0.2320.0150.265Aminopeptidase B inhibitor

0.265 0.011 CID_999

CID_999
0.2260.010.226Estrogen antagonist
0.2680.0520.268Amyloid beta aggregation inhibitor
0.2210.0060.221Macrophage migration inhibitory factor inhibitor

0.124 0.024 CID_999

0.2190.0040.219Bile acid receptor antagonist

0.177 0.005 CID_999

0.2690.0560.269Pyruvate kinase inhibitor

0.18 0.093 CID_999

0.2260.0150.286UDP-glucose 4-epimerase inhibitor

0.286 0.011 CID_999

CID_999
0.2160.0060.273GABA C receptor rho-1 antagonist

0.273 0.004 CID_999

CID_999
0.2120.0040.212NMDA receptor subunit 3A antagonist

0.183 0.004 CID_999

0.2130.010.263Phosphofructokinase-1 inhibitor

0.263 0.007 CID_999

CID_999
0.2510.050.251Peptidyltransferase inhibitor

0.243 0.056 CID_999

0.2160.0160.216Carbonic anhydrase XV inhibitor

0.166 0.026 CID_999

0.2650.0650.265Antiamyloidogenic

0.177 0.117 CID_999

0.2190.020.24GABA C receptor rho-2 antagonist

0.24 0.014 CID_999

CID_999
0.20.0030.264Thyroid hormone alpha antagonist

0.264 0.002 CID_999

CID_999
0.2120.0150.23Cathepsin G inhibitor

0.23 0.014 CID_999

CID_999
0.2170.0240.217Protein-tyrosine phosphatase 1B inhibitor

0.2 0.029 CID_999

0.2140.0220.214Chelator

0.115 0.059 CID_999

0.1960.0040.228Sphingosine 1-phosphate receptor 4 agonist

0.228 0.004 CID_999

CID_999
0.2440.0530.255RNA-directed DNA polymerase inhibitor

0.255 0.046 CID_999

CID_999
0.1980.0070.198Carbonic anhydrase V inhibitor

0.171 0.01 CID_999

0.190.0030.19Estrogen-related receptor beta agonist

0.146 0.004 CID_999

0.1960.0090.204Sphingosine 1-phosphate receptor 2 antagonist

0.204 0.007 CID_999

CID_999
0.1930.0060.193Leukotriene antagonist

0.162 0.009 CID_999

0.2410.0540.241Nitric oxide antagonist

0.161 0.087 CID_999

0.1960.010.196Estrogen receptor beta antagonist
0.2330.0490.233Hepatoprotectant

0.204 0.063 CID_999

0.1970.0140.197Carbonic anhydrase XIII inhibitor

0.136 0.025 CID_999

0.2240.0410.249Thrombolytic

0.249 0.034 CID_999

CID_999
0.2050.0250.205Adenylate cyclase inhibitor

0.191 0.027 CID_999

0.2130.0340.239Interleukin 6 antagonist

0.239 0.025 CID_999

CID_999
0.3080.1290.308Antibacterial

0.282 0.149 CID_999

0.2140.0360.214NOS3 expression enhancer

0.122 0.112 CID_999

0.330.1520.33Apoptosis agonist
0.2720.0950.272Caspase 3 stimulant
0.1910.0140.191Uric acid excretion stimulant

0.189 0.014 CID_999

0.1870.0120.216Sphingosine 1-phosphate receptor 4 antagonist

0.216 0.007 CID_999

CID_999
0.2030.0290.213Mannose-6-phosphate isomerase inhibitor

0.213 0.024 CID_999

CID_999
0.1870.0130.187AMP-activated protein kinase stimulant

0.164 0.02 CID_999

0.1810.0080.181Vanilloid agonist

0.132 0.014 CID_999

0.1890.0160.189Mediator release inhibitor

0.157 0.026 CID_999

0.1780.0060.178Carbonic anhydrase VA inhibitor

0.157 0.009 CID_999

0.2040.0330.204Hexokinase inhibitor

0.196 0.038 CID_999

0.1790.0090.222Aminopeptidase I inhibitor

0.222 0.005 CID_999

CID_999
0.1910.0210.191Xanthine oxidase inhibitor

0.125 0.045 CID_999

0.1810.0120.268Glutamate dehydrogenase inhibitor

0.268 0.006 CID_999

CID_999
0.1760.0090.189Ca2+-transporting ATPase inhibitor

0.189 0.005 CID_999

CID_999
0.1790.0120.179Heat shock protein 70 antagonist

0.169 0.018 CID_999

0.1780.0130.228NADH dehydrogenase inhibitor

0.228 0.009 CID_999

CID_999
0.2050.0420.269Diuretic

0.269 0.028 CID_999

CID_999
0.1960.0350.196M18 aspartyl aminopeptidase inhibitor
0.1690.0090.185Potassium channel large-conductance Ca-activated activator

0.185 0.007 CID_999

CID_999
0.1650.0040.165Liver X receptor alpha agonist

0.126 0.004 CID_999

0.1660.0060.238NMDA receptor agonist

0.238 0.004 CID_999

CID_999
0.2370.0770.237Vasodilator

0.192 0.111 CID_999

0.1890.0320.189DNA polymerase I inhibitor

0.159 0.044 CID_999

0.2230.0660.361Platelet aggregation inhibitor

0.361 0.024 CID_999

CID_999
0.1870.030.187CF transmembrane conductance regulator agonist

0.166 0.052 CID_999

0.2840.1280.416Antiobesity

0.416 0.06 CID_999

CID_999
0.1650.0090.165Glutathione S-transferase inhibitor

0.161 0.01 CID_999

0.1680.0140.168NAD(P)H dehydrogenase (quinone) inhibitor

0.123 0.028 CID_999

0.1650.0120.165Adrenaline agonist

0.117 0.027 CID_999

0.160.0080.282Biliverdin reductase inhibitor

0.282 0.004 CID_999

CID_999
0.1560.0050.156Leukotriene B4 antagonist

0.124 0.007 CID_999

0.1550.0040.292Aconitate hydratase inhibitor

0.292 0.002 CID_999

CID_999
0.1850.0360.21Cyclooxygenase 2 inhibitor

0.21 0.028 CID_999

CID_999
0.160.0140.169Interleukin 1 beta converting enzyme inhibitor

0.169 0.011 CID_999

CID_999
0.230.0840.246Calpain inhibitor

0.246 0.069 CID_999

CID_999
0.1850.040.185Alkaline phosphatase inhibitor

0.136 0.07 CID_999

0.1580.0140.158Anabolic

0.152 0.017 CID_999

0.1490.0070.151Purinergic P2X1 antagonist

0.151 0.007 CID_999

CID_999
0.1580.0160.242Electrolyte absorption antagonist

0.242 0.005 CID_999

CID_999
0.1450.0030.145Dopamine D5 agonist

0.093 0.005 CID_999

0.1450.0040.155Prostaglandin agonist

0.155 0.004 CID_999

CID_999
0.150.0110.231Argininosuccinate synthase inhibitor

0.231 0.006 CID_999

CID_999
0.2310.0920.231DNA damaging

0.229 0.093 CID_999

0.1440.0070.151Peroxisome proliferator-activated receptor alpha agonist

0.151 0.006 CID_999

CID_999
0.1520.0150.298Cell adhesion molecule inhibitor

0.298 0.005 CID_999

CID_999
0.1790.0430.183Hemostatic

0.183 0.041 CID_999

CID_999
0.1950.060.255Lipocortins synthesis antagonist

0.255 0.032 CID_999

CID_999
0.1630.0290.163Nav1.4 sodium channel blocker

0.159 0.03 CID_999

0.140.0070.145Peroxisome proliferator-activated receptor gamma antagonist

0.145 0.006 CID_999

CID_999
0.1390.0080.139NMDA 2C receptor antagonist

0.134 0.008 CID_999

0.1950.0670.195P-glycoprotein inhibitor

0.17 0.09 CID_999

0.1350.0090.1353-Oxoacyl-[acyl-carrier-protein] synthase inhibitor

0.082 0.024 CID_999

0.1380.0130.207Carbamoyl phosphate synthetase inhibitor

0.207 0.007 CID_999

CID_999
0.1390.0150.139HIV-1 integrase (3'-Processing) inhibitor

0.069 0.039 CID_999

0.1250.0020.125Thyroid hormone agonist

0.076 0.003 CID_999

0.1350.0120.135Leukotriene synthesis inhibitor

0.13 0.013 CID_999

0.1330.0110.133Carbonic anhydrase VB inhibitor

0.108 0.014 CID_999

0.1260.0040.156DNA helicase inhibitor

0.156 0.003 CID_999

CID_999
0.160.0390.198Cathepsin H inhibitor

0.198 0.023 CID_999

CID_999
0.1380.0170.16Lanosterol 14 alpha demethylase inhibitor

0.16 0.009 CID_999

CID_999
0.140.0190.16Selectin antagonist

0.16 0.016 CID_999

CID_999
0.1360.0160.14Ornithine decarboxylase inhibitor

0.14 0.014 CID_999

CID_999
0.1320.0120.132HIV-1 integrase inhibitor

0.106 0.022 CID_999

0.1680.0490.181Cell wall synthesis inhibitor

0.181 0.039 CID_999

CID_999
0.150.0310.15Bronchodilator

0.105 0.058 CID_999

0.1310.0120.333Integrin antagonist

0.333 0.005 CID_999

CID_999
0.1290.010.129D-Ala-D-Ala ligase inhibitor

0.116 0.016 CID_999

0.1640.0470.189M17 leucyl aminopeptidase inhibitor

0.189 0.037 CID_999

CID_999
0.1270.0110.151Glycine receptor agonist

0.151 0.007 CID_999

CID_999
0.120.0030.132Prostaglandin EP4 agonist

0.132 0.003 CID_999

CID_999
0.1290.0130.129Estrogen agonist
0.1320.0160.132CDC25A inhibitor

0.129 0.017 CID_999

0.1560.0410.156Antibacterial (Helicobacter pylori)

0.155 0.042 CID_999

0.2230.1080.223Transcription factor STAT3 inhibitor

0.199 0.134 CID_999

0.1410.0270.141Toll-Like receptor 4 antagonist

0.121 0.042 CID_999

0.1180.0040.151Retinoid X alpha receptor agonist

0.151 0.003 CID_999

CID_999
0.120.0070.146Thromboxane antagonist

0.146 0.005 CID_999

CID_999
0.1320.020.132Interleukin 12 antagonist

0.099 0.055 CID_999

0.1140.0030.114ATP citrate lysase inhibitor

0.077 0.004 CID_999

0.1160.0050.129Glutamate (mGluR7) antagonist

0.129 0.004 CID_999

CID_999
0.1320.0210.132NMDA 2 receptor antagonist

0.099 0.032 CID_999

0.1260.0150.126HIV-1 integrase (Strand Transfer) inhibitor

0.074 0.034 CID_999

0.1130.0040.113Leukotriene C antagonist

0.108 0.004 CID_999

0.1230.0140.134Granulocyte macrophage colony stimulating factor agonist

0.134 0.009 CID_999

CID_999
0.1420.0340.152Caspase 3 inhibitor

0.152 0.027 CID_999

CID_999
0.3090.2010.434Ca2+/calmodulin-dependent protein kinase kinase A inhibitor

0.434 0.073 CID_999

CID_999
0.1270.0190.131Interleukin 5 antagonist

0.131 0.017 CID_999

CID_999
0.1470.0390.158Microtubule formation inhibitor

0.158 0.034 CID_999

CID_999
0.1130.0070.203Sphingosine 1-phosphate receptor 5 agonist

0.203 0.004 CID_999

CID_999
0.110.0040.119Prostaglandin E2 agonist

0.119 0.004 CID_999

CID_999
0.110.0030.11Liver X receptor beta antagonist

0.092 0.004 CID_999

0.2090.1040.214Neuropeptide Y2 antagonist

0.214 0.096 CID_999

CID_999
0.1090.0050.117Urate transporter 1 inhibitor

0.117 0.005 CID_999

CID_999
0.1210.0180.121Estrogen receptor alpha antagonist

0.08 0.049 CID_999

0.1490.0470.149Alkylator

0.146 0.048 CID_999

0.1490.0470.151Proteasome inhibitor

0.151 0.046 CID_999

CID_999
0.1120.0110.146NMDA receptor glycine site agonist

0.146 0.005 CID_999

CID_999
0.1060.0060.134Thromboxane A2 antagonist

0.134 0.004 CID_999

CID_999
0.1040.0040.19Glutamate (mGluR3) antagonist

0.19 0.004 CID_999

CID_999
0.1040.0050.17AMPA 4 receptor antagonist

0.17 0.004 CID_999

CID_999
0.1040.0050.177Carnitine palmitoyltransferase 1B inhibitor

0.177 0.003 CID_999

CID_999
0.1110.0130.111Maillard reaction inhibitor

0.097 0.018 CID_999

0.1710.0730.171Mcl-1 antagonist
0.1060.0090.15Glutamate (mGluR6) antagonist

0.15 0.004 CID_999

CID_999
0.1020.0050.102Liver X receptor beta agonist

0.1 0.005 CID_999

0.1080.0110.108NMDA 2A receptor antagonist

0.098 0.014 CID_999

0.1060.0090.1063(or 17)beta-hydroxysteroid dehydrogenase inhibitor

0.07 0.022 CID_999

0.10.0050.108Peroxisome proliferator-activated receptor alpha antagonist

0.108 0.004 CID_999

CID_999
0.1080.0130.108Beta adrenoreceptor antagonist

0.084 0.024 CID_999

0.0990.0050.12Peroxisome proliferator-activated receptor delta agonist

0.12 0.005 CID_999

CID_999
0.1960.1020.196Glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase inhibitor

0.16 0.131 CID_999

0.10.0070.165Kainate receptor antagonist

0.165 0.004 CID_999

CID_999
0.2130.120.213Transcription factor STAT inhibitor

0.191 0.151 CID_999

0.0970.0050.121Lysophosphatidic acid 3 receptor antagonist

0.121 0.004 CID_999

CID_999
0.0970.0050.125Retinoid X receptor agonist

0.125 0.003 CID_999

CID_999
0.0970.0050.116Liver X receptor antagonist

0.116 0.005 CID_999

CID_999
0.1030.0110.103Estrogen receptor beta agonist
0.1160.0250.14Glutamate release inhibitor

0.14 0.013 CID_999

CID_999
0.1040.0140.104Beta 3 adrenoreceptor antagonist

0.077 0.026 CID_999

0.0940.0040.11Liver X receptor alpha antagonist

0.11 0.004 CID_999

CID_999
0.0970.0080.114MDM2 inhibitor

0.114 0.004 CID_999

CID_999
0.0990.0090.102CD45 antagonist

0.102 0.009 CID_999

CID_999
0.0990.010.102Plasminogen activator inhibitor antagonist

0.102 0.01 CID_999

CID_999
0.1180.0290.12Phosphodiesterase 4D inhibitor

0.12 0.028 CID_999

CID_999
0.1270.0390.127Urease inhibitor

0.111 0.054 CID_999

0.1070.0210.107Amidase inhibitor

0.095 0.027 CID_999

0.0910.0060.119Glucose-6-phosphate isomerase inhibitor

0.119 0.004 CID_999

CID_999
0.0960.0130.111Prostaglandin F2 alpha antagonist

0.111 0.008 CID_999

CID_999
0.1070.0240.15Interferon agonist

0.15 0.01 CID_999

CID_999
0.0870.0050.098Heparanase inhibitor

0.098 0.004 CID_999

CID_999
0.0970.0150.097MAP kinase kinase 7 inhibitor

0.088 0.028 CID_999

0.0880.0060.196Fumarate hydratase inhibitor

0.196 0.003 CID_999

CID_999
0.0850.0040.103Free fatty acid receptor 1 antagonist

0.103 0.003 CID_999

CID_999
0.0840.0040.084Leukotriene C4 antagonist

0.082 0.004 CID_999

0.0850.0050.085Dopamine beta hydroxylase inhibitor

0.077 0.005 CID_999

0.0840.0030.119Kainate receptor agonist

0.119 0.002 CID_999

CID_999
0.0890.0090.111Thromboxane synthase inhibitor

0.111 0.005 CID_999

CID_999
0.0860.0050.088Nicotinic acid receptor agonist

0.088 0.005 CID_999

CID_999
0.0970.0170.176Acyl-CoA dehydrogenase inhibitor

0.176 0.007 CID_999

CID_999
0.090.010.09Estrogen receptor alpha agonist
0.1150.0380.115Opioid antagonist
0.1210.0450.121Beta glucuronidase inhibitor
0.0890.0130.089Beta 1 adrenoreceptor antagonist

0.077 0.02 CID_999

0.1050.0290.105Opioid delta receptor antagonist
0.1120.0360.125Histamine N-methyltransferase inhibitor

0.125 0.026 CID_999

CID_999
0.1630.0880.163Amyloid beta precursor protein antagonist
0.2030.1280.2055 Hydroxytryptamine 1E antagonist

0.205 0.125 CID_999

CID_999
0.1180.0430.134Sphingomyelinase inhibitor

0.134 0.032 CID_999

CID_999
0.0890.0150.089Glycine transporter 2 inhibitor

0.062 0.024 CID_999

0.0880.0140.088Carbonic anhydrase XIV inhibitor

0.06 0.025 CID_999

0.1320.0570.132Papain-like protease (SARS coronavirus) inhibitor
0.0840.010.084Beta 2 adrenoreceptor antagonist

0.067 0.018 CID_999

0.0870.0130.092Sphingosine 1-phosphate receptor 3 antagonist

0.092 0.01 CID_999

CID_999
0.0790.0050.115Prostacyclin antagonist

0.115 0.004 CID_999

CID_999
0.0750.0020.075Thyroid hormone beta agonist

0.032 0.003 CID_999

0.0810.0080.081Beta 2 adrenoreceptor agonist

0.069 0.021 CID_999

0.0770.0050.117Lysophosphatidic acid 2 receptor antagonist

0.117 0.004 CID_999

CID_999
0.0770.0050.229Diacylglycerol O-acyltransferase 1 inhibitor

0.229 0.004 CID_999

CID_999
0.1240.0530.124Transcription factor STAT6 inhibitor

0.124 0.053 CID_999

0.1230.0520.145Falcipain 3 inhibitor

0.145 0.039 CID_999

CID_999
0.1090.0390.109Thioredoxin inhibitor

0.082 0.077 CID_999

0.080.010.101Liver X receptor agonist

0.101 0.007 CID_999

CID_999
0.150.080.22Anticoagulant

0.22 0.046 CID_999

CID_999
0.1190.050.119Multidrug resistance-associated protein 1 inhibitor

0.108 0.065 CID_999

0.0730.0040.095Glutamate (mGluR8) agonist

0.095 0.003 CID_999

CID_999
0.0730.0040.0733-Hydroxyanthranilate 3,4-dioxygenase inhibitor

0.072 0.004 CID_999

0.0720.0040.142Free fatty acid receptor 1 agonist

0.142 0.004 CID_999

CID_999
0.1040.0360.108Metalloproteinase-2 inhibitor

0.108 0.035 CID_999

CID_999
0.0840.0160.089Bombesin 2 receptor antagonist

0.089 0.015 CID_999

CID_999
0.0860.0190.117Interferon inducer

0.117 0.008 CID_999

CID_999
0.0750.0080.123VLA-4 antagonist

0.123 0.005 CID_999

CID_999
0.0950.0280.095CC chemokine 5 receptor agonist

0.091 0.034 CID_999

0.0740.0080.163Integrin alpha4 antagonist

0.163 0.004 CID_999

CID_999
0.0930.0270.101Sphingosine 1-phosphate receptor antagonist

0.101 0.021 CID_999

CID_999
0.0910.0260.101Elastase 1 inhibitor

0.101 0.019 CID_999

CID_999
0.0970.0330.097Opioid mu receptor antagonist
0.0780.0140.078Topoisomerase II beta inhibitor

0.06 0.022 CID_999

0.0690.0050.0691-Alkyl-2-acetylglycerophosphocholine esterase inhibitor

0.066 0.005 CID_999

0.0760.0120.076Ryanodine receptor antagonist

0.072 0.015 CID_999

0.0760.0130.094Alpha-mannosidase inhibitor

0.094 0.007 CID_999

CID_999
0.0690.0060.099Prostaglandin EP4 antagonist

0.099 0.004 CID_999

CID_999
0.1340.0710.142Interleukin 1 antagonist

0.142 0.063 CID_999

CID_999
0.0720.010.127Glutamate (mGluR4) antagonist

0.127 0.004 CID_999

CID_999
0.0710.0090.122Glutamate (mGluR group III) antagonist

0.122 0.004 CID_999

CID_999
0.070.0090.123Kainate receptor 2 antagonist

0.123 0.004 CID_999

CID_999
0.1080.0460.133Glutamate (mGluR7) agonist

0.133 0.02 CID_999

CID_999
0.1160.0550.133Acetylcholine release stimulant

0.133 0.03 CID_999

CID_999
0.0740.0130.0915-Alpha-reductase inhibitor

0.091 0.011 CID_999

CID_999
0.0720.0120.078Pregnane X receptor antagonist

0.078 0.007 CID_999

CID_999
0.2270.1660.26Calpain 2 inhibitor

0.26 0.142 CID_999

CID_999
0.0660.0060.066Beta adrenoreceptor agonist

0.052 0.014 CID_999

0.0780.0180.081Botulinum neurotoxin type A inhibitor

0.081 0.016 CID_999

CID_999
0.0730.0140.08Dihydroorotate oxidase inhibitor

0.08 0.011 CID_999

CID_999
0.0750.0160.12Diacylglycerol O-acyltransferase inhibitor

0.12 0.005 CID_999

CID_999
0.0830.0250.11Carbonic anhydrase stimulant

0.11 0.016 CID_999

CID_999
0.0690.0120.096Sphingosine 1-phosphate receptor agonist

0.096 0.006 CID_999

CID_999
0.1090.0510.139Folate antagonist

0.139 0.027 CID_999

CID_999
0.0830.0250.083CDC25B inhibitor

0.071 0.037 CID_999

0.0810.0240.081Xanthine dehydrogenase inhibitor

0.052 0.044 CID_999

0.060.0040.06Prostaglandin F2 alpha agonist

0.057 0.004 CID_999

0.0690.0130.079Adenylate cyclase 1 inhibitor

0.079 0.008 CID_999

CID_999
0.0680.0120.088Mannosidase inhibitor

0.088 0.007 CID_999

CID_999
0.0740.0190.078Phosphorylase inhibitor

0.078 0.017 CID_999

CID_999
0.0590.0040.059Glutamate (mGluR3) agonist

0.054 0.004 CID_999

0.0930.0380.097Na+ K+ transporting ATPase inhibitor

0.097 0.035 CID_999

CID_999
0.1320.0780.132Histone deacetylase SIRT1 inhibitor
0.1750.120.2065 Hydroxytryptamine 3E antagonist

0.206 0.052 CID_999

CID_999
0.0590.0050.072Leukotriene B4 receptor 1 antagonist

0.072 0.004 CID_999

CID_999
0.0760.0220.121Mannitol-1-phosphate 5-dehydrogenase inhibitor

0.121 0.011 CID_999

CID_999
0.0730.0190.073Sphingosine kinase 2 inhibitor

0.07 0.021 CID_999

0.0590.0060.105AMPA 3 receptor antagonist

0.105 0.004 CID_999

CID_999
0.0620.0090.108AMPA 1 receptor antagonist

0.108 0.005 CID_999

CID_999
0.0590.0070.072Retinoid X receptor antagonist

0.072 0.004 CID_999

CID_999
0.0690.0170.069Adenine nucleotide translocase inhibitor

0.058 0.032 CID_999

0.1380.0860.149Acetylcholine M1 receptor antagonist

0.149 0.076 CID_999

CID_999
0.070.0180.083Sphingosine 1-phosphate receptor 1 antagonist

0.083 0.013 CID_999

CID_999
0.1510.0990.1733C-like protease (Human coronavirus) inhibitor

0.173 0.071 CID_999

CID_999
0.0750.0240.133Ornithine carbamoyltransferase inhibitor

0.133 0.011 CID_999

CID_999
0.0670.0160.067Vanilloid 2 antagonist

0.05 0.041 CID_999

0.0630.0110.078Sphingosine 1-phosphate receptor 1 agonist

0.078 0.006 CID_999

CID_999
0.0560.0050.062Prostaglandin EP2 agonist

0.062 0.004 CID_999

CID_999
0.0910.0410.128Glycine receptor antagonist

0.128 0.014 CID_999

CID_999
0.0780.0280.091Protease 3C (Human rhinovirus) inhibitor

0.091 0.02 CID_999

CID_999
0.0660.0160.066CXC chemokine 1 receptor antagonist

0.056 0.027 CID_999

0.0810.0310.095Neutrophil collagenase inhibitor

0.095 0.024 CID_999

CID_999
0.0590.0090.08p53 inhibitor

0.08 0.004 CID_999

CID_999
0.0540.0050.075Tryptophan 5 hydroxylase inhibitor

0.075 0.003 CID_999

CID_999
0.0620.0130.079AICAR transformylase inhibitor

0.079 0.008 CID_999

CID_999
0.0880.0390.089Metalloproteinase-9 inhibitor

0.089 0.038 CID_999

CID_999
0.0650.0170.065Estradiol 17 beta-dehydrogenase inhibitor
0.0750.0270.075Ribonucleoside-diphosphate reductase inhibitor

0.069 0.029 CID_999

0.0750.0280.096Aminopeptidase microsomal inhibitor

0.096 0.019 CID_999

CID_999
0.0920.0450.092Myeloperoxidase inhibitor

0.081 0.065 CID_999

0.0710.0240.071Sphingosine kinase inhibitor

0.069 0.026 CID_999

0.0750.0280.075Ribonucleotide reductase inhibitor

0.071 0.031 CID_999

0.050.0030.059Thyroid hormone alpha agonist

0.059 0.003 CID_999

CID_999
0.0870.040.087Analgesic, opioid
0.0710.0240.071Alpha tubulin antagonist
0.0760.030.094Exportin-1 inhibitor

0.094 0.012 CID_999

CID_999
0.0720.0260.072Enoyl-[acyl-carrier-protein] reductase inhibitor
0.0590.0130.067Guanylate cyclase inhibitor

0.067 0.006 CID_999

CID_999
0.0630.0180.076Adenosine deaminase inhibitor

0.076 0.011 CID_999

CID_999
0.1190.0740.126DNA repair enzyme inhibitor

0.126 0.061 CID_999

CID_999
0.1340.0890.166Thiol protease inhibitor

0.166 0.057 CID_999

CID_999
0.0560.0120.087GABA uptake inhibitor

0.087 0.004 CID_999

CID_999
0.0490.0040.059Prostaglandin H2 antagonist

0.059 0.003 CID_999

CID_999
0.0670.0220.107AMPA receptor antagonist

0.107 0.01 CID_999

CID_999
0.0690.0250.182GP IIb/IIIa receptor antagonist

0.182 0.008 CID_999

CID_999
0.0810.0380.091Prostaglandin-E synthase inhibitor

0.091 0.032 CID_999

CID_999
0.050.0080.055Uridine phosphorylase inhibitor

0.055 0.007 CID_999

CID_999
0.0520.010.069Leukotriene D4 antagonist

0.069 0.008 CID_999

CID_999
0.1110.0690.144Interleukin 1b antagonist

0.144 0.045 CID_999

CID_999
0.0630.0210.063Glucose-6-phosphate translocase inhibitor
0.0540.0130.068Arginase inhibitor

0.068 0.008 CID_999

CID_999
0.0460.0050.093Glutamate (mGluR1) agonist

0.093 0.004 CID_999

CID_999
0.0550.0130.055Estradiol 17 beta-dehydrogenase 2 inhibitor
0.0620.0210.073Immunoglobulin Fc receptor antagonist

0.073 0.009 CID_999

CID_999
0.0490.0070.063Retinoid X alpha receptor antagonist

0.063 0.004 CID_999

CID_999
0.050.0080.068Carnitine palmitoyltransferase inhibitor

0.068 0.004 CID_999

CID_999
0.0710.030.071Androgen agonist

0.071 0.03 CID_999

0.0460.0050.052Leukotriene B4 receptor 2 antagonist

0.052 0.004 CID_999

CID_999
0.0490.0080.061Prostaglandin D2 agonist

0.061 0.005 CID_999

CID_999
0.0530.0120.053RNA-directed RNA polymerase inhibitor

0.049 0.013 CID_999

0.0460.0050.094Glutamate (mGluR1a) agonist

0.094 0.004 CID_999

CID_999
0.0570.0160.072Geranyltranstransferase inhibitor

0.072 0.007 CID_999

CID_999
0.0880.0470.088Topoisomerase II alpha inhibitor
0.0880.0480.088Opioid kappa receptor antagonist
0.0540.0140.055Dihydropteroate synthase inhibitor

0.055 0.014 CID_999

CID_999
0.1430.1030.159Antipruritic

0.159 0.085 CID_999

CID_999
0.0490.0090.064Glutamate (mGluR8) antagonist

0.064 0.005 CID_999

CID_999
0.0480.0090.065Carnitine palmitoyltransferase 1 inhibitor

0.065 0.004 CID_999

CID_999
0.0580.0190.075Thymidylate synthase inhibitor

0.075 0.009 CID_999

CID_999
0.1020.0630.109Gastric antisecretory

0.109 0.054 CID_999

CID_999
0.0580.0190.106Macrophage elastase inhibitor

0.106 0.009 CID_999

CID_999
0.0860.0470.105Chymotrypsin inhibitor

0.105 0.033 CID_999

CID_999
0.0490.0110.112AMPA 2 receptor antagonist

0.112 0.005 CID_999

CID_999
0.0480.010.048HCV NS5B polymerase inhibitor

0.041 0.014 CID_999

0.0970.0590.097Phosphodiesterase 6D inhibitor

0.092 0.071 CID_999

0.0420.0040.042Vanilloid 2 agonist

0.041 0.004 CID_999

0.0470.010.047Catechol O-methyltransferase inhibitor
0.0590.0220.059Squalene epoxidase inhibitor

0.05 0.034 CID_999

0.0410.0050.041Estrogen-related receptor gamma antagonist

0.033 0.011 CID_999

0.1320.0950.144Pregnane X receptor agonist

0.144 0.064 CID_999

CID_999
0.0420.0050.11Retinoid X beta receptor agonist

0.11 0.003 CID_999

CID_999
0.040.0040.06Lysophosphatidic acid 1 receptor antagonist

0.06 0.003 CID_999

CID_999
0.0420.0070.087Kainate receptor 1 antagonist

0.087 0.004 CID_999

CID_999
0.050.0140.069Squalene synthetase inhibitor

0.069 0.01 CID_999

CID_999
0.1610.1270.161Aryl hydrocarbon receptor agonist
0.0670.0340.074Calcium channel P-type blocker

0.074 0.021 CID_999

CID_999
0.0470.0140.074Integrin alpha2 antagonist

0.074 0.005 CID_999

CID_999
0.0410.0070.046Protocollagen prolyl hydroxylase inhibitor

0.046 0.006 CID_999

CID_999
0.040.0070.102Retinoid X gamma receptor agonist

0.102 0.004 CID_999

CID_999
0.0360.0030.036Estrogen-related receptor gamma agonist

0.024 0.006 CID_999

0.0480.0160.056Heme oxygenase inhibitor

0.056 0.008 CID_999

CID_999
0.0420.0090.042Estrogen-related receptor beta antagonist
0.0780.0450.078Lipase inhibitor
0.0350.0040.035Egl nine homolog 1 inhibitor

0.033 0.004 CID_999

0.0360.0040.066G-protein-coupled receptor 120 agonist

0.066 0.003 CID_999

CID_999
0.0370.0060.052Nicotinic acid receptor 2 antagonist

0.052 0.004 CID_999

CID_999
0.0750.0440.1Phospholipase D inhibitor

0.1 0.014 CID_999

CID_999
0.0430.0120.084Prostaglandin EP3 antagonist

0.084 0.007 CID_999

CID_999
0.0670.0360.067Aromatase inhibitor
0.040.010.059Lysine carboxypeptidase inhibitor

0.059 0.006 CID_999

CID_999
0.0390.0090.056NMDA receptor glycine site antagonist

0.056 0.005 CID_999

CID_999
0.0550.0260.055Opioid mu receptor agonist
0.0440.0150.05VCAM-1 antagonist

0.05 0.009 CID_999

CID_999
0.0440.0150.05VCAM antagonist

0.05 0.009 CID_999

CID_999
0.0330.0040.033Nicotinic acid receptor 1 antagonist

0.029 0.004 CID_999

0.0360.0070.066Lysophosphatidic acid receptor 1 agonist

0.066 0.003 CID_999

CID_999
0.0530.0240.055Oleamide hydrolase inhibitor

0.055 0.023 CID_999

CID_999
0.0660.0370.082Caspase 9 inhibitor

0.082 0.022 CID_999

CID_999
0.1220.0930.126Nav1.6 sodium channel blocker

0.126 0.086 CID_999

CID_999
0.0510.0230.051Oxytocin agonist

0.044 0.028 CID_999

0.0590.0310.063Epithelial sodium channel blocker

0.063 0.024 CID_999

CID_999
0.0830.0550.096Caspase 7 inhibitor

0.096 0.034 CID_999

CID_999
0.2280.2010.228Alpha-glucosidase inhibitor
0.1210.0940.121Neurotrophic factor

0.115 0.104 CID_999

0.0550.0290.066Prolyl endopeptidase inhibitor

0.066 0.019 CID_999

CID_999
0.070.0440.079Matrix metalloproteinase inhibitor

0.079 0.038 CID_999

CID_999
0.0480.0220.066GABA B receptor antagonist

0.066 0.01 CID_999

CID_999
0.110.0850.136Glutamate receptor antagonist

0.136 0.061 CID_999

CID_999
0.0370.0110.073Kynurenine 3 monooxygenase inhibitor

0.073 0.004 CID_999

CID_999
0.0330.0080.077Integrin alpha4beta7 antagonist

0.077 0.004 CID_999

CID_999
0.0320.0070.032Beta 1 adrenoreceptor agonist

0.024 0.014 CID_999

0.0340.0090.082Integrin beta7 antagonist

0.082 0.005 CID_999

CID_999
0.0470.0220.061Angiotensin AT1 receptor antagonist

0.061 0.005 CID_999

CID_999
0.2290.2040.229Analgesic

0.227 0.206 CID_999

0.0420.0170.05Vanilloid 3 antagonist

0.05 0.009 CID_999

CID_999
0.0540.0280.076Aminopeptidase N inhibitor

0.076 0.018 CID_999

CID_999
0.0680.0430.075Glucagon-like peptide 1 agonist

0.075 0.038 CID_999

CID_999
0.090.0650.09Breast cancer-resistant protein inhibitor
0.0420.0180.048Phosphoglycerate kinase inhibitor

0.048 0.015 CID_999

CID_999
0.0780.0540.078Somatostatin 1 agonist
0.0510.0280.06Cholesterol esterase inhibitor

0.06 0.018 CID_999

CID_999
0.0860.0640.086ATPase (Vacuolar H+) inhibitor
0.0450.0230.063Integrin alpha5beta1 antagonist

0.063 0.01 CID_999

CID_999
0.0390.0160.039Estradiol 17 beta-dehydrogenase 3 inhibitor
0.0480.0270.062Fructose-1,6-bisphosphatase inhibitor

0.062 0.016 CID_999

CID_999
0.0260.0050.026Antibiotic Anthracycline-like

0.024 0.006 CID_999

0.0280.0070.041Aminopeptidase A inhibitor

0.041 0.004 CID_999

CID_999
0.0980.0780.112Protein kinase (CK2) alpha inhibitor

0.112 0.067 CID_999

CID_999
0.0470.0260.058Leukocyte elastase inhibitor

0.058 0.019 CID_999

CID_999
0.030.0090.0525-Alpha-reductase 2 inhibitor

0.052 0.007 CID_999

CID_999
0.0370.0170.048Melatonin receptor 1A agonist

0.048 0.009 CID_999

CID_999
0.0340.0130.055Carnitine palmitoyltransferase 1A inhibitor

0.055 0.006 CID_999

CID_999
0.0310.010.111Vitronectin receptor antagonist

0.111 0.004 CID_999

CID_999
0.0990.0790.099Protein kinase C gamma inhibitor
0.0310.0110.057Integrin alpha2beta1 antagonist

0.057 0.004 CID_999

CID_999
0.0420.0220.051Farnesoid X receptor agonist

0.051 0.014 CID_999

CID_999
0.0490.0290.049Carbonic anhydrase VII inhibitor
0.0740.0540.094Vanilloid 4 agonist

0.094 0.022 CID_999

CID_999
0.1540.1340.154Histone acetyltransferase inhibitor
0.1010.0820.113Anesthetic local

0.113 0.072 CID_999

CID_999
0.0460.0270.069Glutamate (mGluR group III) agonist

0.069 0.015 CID_999

CID_999
0.080.0620.098Inducible nitric-oxide synthase inhibitor

0.098 0.039 CID_999

CID_999
0.0270.0090.031ICAM 1 antagonist

0.031 0.006 CID_999

CID_999
0.0560.0370.067Matrix metalloproteinase (membrane-type) inhibitor

0.067 0.026 CID_999

CID_999
0.0220.0040.027Glutamate (mGluR6) agonist

0.027 0.003 CID_999

CID_999
0.0420.0240.069Membrane dipeptidase inhibitor

0.069 0.007 CID_999

CID_999
0.0550.0370.065Angiotensin-converting enzyme inhibitor

0.065 0.024 CID_999

CID_999
0.0430.0260.043Erythropoietin receptor agonist

0.042 0.027 CID_999

0.0360.020.053Angiotensin II receptor antagonist

0.053 0.005 CID_999

CID_999
0.0410.0240.041CF transmembrane conductance regulator antagonist

0.038 0.036 CID_999

0.0210.0050.03Thromboxane A2 agonist

0.03 0.003 CID_999

CID_999
0.0580.0430.075Collagenase 3 inhibitor

0.075 0.028 CID_999

CID_999
0.0440.0290.049Dihydrofolate reductase inhibitor

0.049 0.019 CID_999

CID_999
0.0820.0670.095Hematopoietic

0.095 0.041 CID_999

CID_999
0.0270.0130.027Estradiol 17 beta-dehydrogenase 1 inhibitor
0.0990.0850.099Electron transport complex I inhibitor
0.0230.0090.035Retinoid X beta receptor antagonist

0.035 0.004 CID_999

CID_999
0.0190.0050.019Integrin beta6 antagonist

0.018 0.005 CID_999

0.0180.0040.024Thromboxane agonist

0.024 0.003 CID_999

CID_999
0.060.0460.06Heme oxygenase stimulant
0.0780.0640.078Phosphodiesterase IV inhibitor
0.0170.0050.017Beta 3 adrenoreceptor agonist

0.011 0.009 CID_999

0.0510.0390.051Opioid agonist
0.0280.0160.04Calcium-sensing receptor agonist

0.04 0.008 CID_999

CID_999
0.0280.0160.028Sodium/glucose cotransporter 2 inhibitor

0.026 0.019 CID_999

0.0220.010.032Integrin alphaVbeta1 antagonist

0.032 0.005 CID_999

CID_999
0.0230.0110.027Neuraminidase (Influenza B) inhibitor

0.027 0.006 CID_999

CID_999
0.0980.0880.098Topoisomerase II inhibitor
0.0310.020.034Glucagon receptor antagonist

0.034 0.017 CID_999

CID_999
0.0360.0250.036Nicotinic acid receptor 2 agonist

0.036 0.024 CID_999

0.0480.0390.048Factor III inhibitor
0.0340.0240.037Calcitonin receptor agonist

0.037 0.022 CID_999

CID_999
0.0580.0490.0585 Hydroxytryptamine 2A agonist
0.1220.1120.122Sigma receptor agonist
0.0190.010.019Ileal bile acid transport inhibitor

0.018 0.01 CID_999

0.0780.0690.078Thioredoxin reductase inhibitor
0.0260.0170.026Sodium/glucose cotransporter inhibitor

0.025 0.02 CID_999

0.0180.0090.02Vitamin D receptor agonist

0.02 0.007 CID_999

CID_999
0.0470.0380.095Prostaglandin E2 antagonist

0.095 0.016 CID_999

CID_999
0.040.0310.044Sphingosine kinase 1 inhibitor

0.044 0.024 CID_999

CID_999
0.0220.0130.05Integrin beta5 antagonist

0.05 0.005 CID_999

CID_999
0.0180.010.027Integrin alpha4beta1 antagonist

0.027 0.008 CID_999

CID_999
0.10.0910.103Acetylcholine muscarinic antagonist

0.103 0.087 CID_999

CID_999
0.0320.0240.041Carboxypeptidase B inhibitor

0.041 0.012 CID_999

CID_999
0.0160.0080.017Integrin alphaVbeta6 antagonist

0.017 0.007 CID_999

CID_999
0.0440.0360.066Antimetabolite

0.066 0.023 CID_999

CID_999
0.0520.0450.052Beta tubulin antagonist
0.0220.0140.038Integrin alphaVbeta3 antagonist

0.038 0.005 CID_999

CID_999
0.0420.0350.042Neurotensin receptor antagonist
0.060.0530.06Transcription factor RelA inhibitor
0.1040.0970.104Tubulin antagonist
0.0140.0080.0171-Deoxy-D-xylulose-5-phosphate reductoisomerase inhibitor

0.017 0.005 CID_999

CID_999
0.0170.0110.02Telomerase stimulant

0.02 0.007 CID_999

CID_999
0.020.0140.022Caspase 8 inhibitor

0.022 0.009 CID_999

CID_999
0.0090.0030.013Integrin alpha5beta6 antagonist

0.013 0.003 CID_999

CID_999
0.0270.0210.03Hedgehog signaling activator

0.03 0.013 CID_999

CID_999
0.0430.0380.044Potassium channel Kv1.3 blocker

0.044 0.036 CID_999

CID_999
0.0390.0340.045Plasmepsin II inhibitor

0.045 0.022 CID_999

CID_999
0.0220.0170.025Isoleucine-tRNA ligase inhibitor

0.025 0.01 CID_999

CID_999
0.0330.0280.033Opioid delta receptor agonist
0.0290.0250.035Cholesterol ester transfer protein antagonist

0.035 0.017 CID_999

CID_999
0.0180.0130.022Methylmalonyl-CoA mutase inhibitor

0.022 0.006 CID_999

CID_999
0.0290.0250.035Elastase 3A inhibitor

0.035 0.013 CID_999

CID_999
0.0290.0250.035Elastase 3B inhibitor

0.035 0.013 CID_999

CID_999
0.0290.0250.035Elastase 2B inhibitor

0.035 0.013 CID_999

CID_999
0.0540.0490.054Acetylcholine M3 receptor antagonist
0.0330.0290.038Calcium-independent phospholipase A2 inhibitor

0.038 0.014 CID_999

CID_999
0.0320.0280.04Glutamate (mGluR4) agonist

0.04 0.016 CID_999

CID_999
0.0120.0090.014Egl nine homolog 3 inhibitor

0.014 0.006 CID_999

CID_999
0.030.0270.052Sphingosine 1-phosphate receptor 3 agonist

0.052 0.015 CID_999

CID_999
0.0090.0070.014Integrin alphaVbeta5 antagonist

0.014 0.005 CID_999

CID_999
0.0240.0220.027Urotensin II agonist

0.027 0.018 CID_999

CID_999
0.0160.0150.022Tryptophan hydroxylase 1 inhibitor

0.022 0.005 CID_999

CID_999
0.0360.0340.048Integrin alpha1beta1 antagonist

0.048 0.009 CID_999

CID_999
0.0290.0270.036Sirtuin 2 inhibitor

0.036 0.02 CID_999

CID_999
0.0140.0130.021Prostacyclin agonist

0.021 0.008 CID_999

CID_999
0.0310.030.038HMG CoA reductase inhibitor

0.038 0.017 CID_999

CID_999
0.0320.0310.035Growth factor receptor-bound protein 2 antagonist

0.035 0.025 CID_999

CID_999
0.0250.0240.026Baculoviral IAP repeat-containing protein 4 inhibitor

0.026 0.021 CID_999

CID_999
0.0450.0440.059Cytokine production stimulant

0.059 0.014 CID_999

CID_999
0.0140.0140.0275-Alpha-reductase 1 inhibitor

0.027 0.009 CID_999

CID_999
0.090.090.122GABA receptor agonist

0.122 0.055 CID_999

CID_999
0.0290.0290.044Methionyl aminopeptidase 1 inhibitor

0.044 0.009 CID_999

CID_999
0.0140.0140.016Purinergic P2Y1 agonist

0.016 0.01 CID_999

CID_999
0.0110.0130.022Angiotensin AT1B receptor antagonist

0.022 0.005 CID_999

CID_999
0.0360.0380.049Carbonic anhydrase IV inhibitor

0.049 0.025 CID_999

CID_999
0.0320.0330.039Ceramide glucosyltransferase inhibitor

0.039 0.019 CID_999

CID_999
0.0670.0690.091S-adenosyl-L-methionine decarboxylase inhibitor

0.091 0.021 CID_999

CID_999
0.0250.0270.033Retinoid X gamma receptor antagonist

0.033 0.009 CID_999

CID_999
0.1030.1060.126Nav1.2 sodium channel blocker

0.126 0.077 CID_999

CID_999
0.0160.0190.027CXC chemokine 5 receptor antagonist

0.027 0.005 CID_999

CID_999
0.0130.0170.029Carbonic anhydrase X inhibitor

0.029 0.004 CID_999

CID_999
0.0130.0170.029Carbonic anhydrase VIII inhibitor

0.029 0.004 CID_999

CID_999
0.0160.020.023Complement factor D inhibitor

0.023 0.005 CID_999

CID_999
0.0140.0190.032Prostaglandin EP1 antagonist

0.032 0.009 CID_999

CID_999
0.0280.0340.035Purinergic P2Y2 antagonist

0.035 0.021 CID_999

CID_999
0.0220.0280.032Endothelin receptor antagonist

0.032 0.016 CID_999

CID_999
0.0320.0380.045Toll-Like receptor 2 agonist

0.045 0.026 CID_999

CID_999
0.0210.0270.03411-Beta-hydroxysteroid dehydrogenase 2 inhibitor

0.034 0.014 CID_999

CID_999
0.0140.0210.045Integrin beta3 antagonist

0.045 0.007 CID_999

CID_999
0.0320.0390.058Complement C3a chemotactic receptor antagonist

0.058 0.023 CID_999

CID_999
0.0450.0520.054Plasminogen activator inhibitor

0.054 0.044 CID_999

CID_999
0.0330.0410.044Retinoic acid alpha receptor agonist

0.044 0.02 CID_999

CID_999
0.0290.0360.032Protein kinase (CK2) beta inhibitor

0.032 0.025 CID_999

CID_999
0.0450.0530.065Autotaxin inhibitor

0.065 0.025 CID_999

CID_999
0.010.0180.013Adenosine A2a receptor agonist

0.013 0.012 CID_999

CID_999
0.0190.0280.024Fructose-1,6-bisphosphatase 1 inhibitor

0.024 0.016 CID_999

CID_999
0.0220.0310.025NMDA 2D receptor antagonist

0.025 0.022 CID_999

CID_999
0.0550.0640.066Phosphodiesterase 4B inhibitor

0.066 0.048 CID_999

CID_999
0.0090.0180.02Lysophosphatidic acid receptor 3 agonist

0.02 0.005 CID_999

CID_999
0.0190.0290.022Retinoic acid gamma receptor agonist

0.022 0.017 CID_999

CID_999
0.0150.0250.019Retinoic acid alpha receptor antagonist

0.019 0.016 CID_999

CID_999
0.0170.0280.023Thymidine kinase (Herpes simplex virus 2) inhibitor

0.023 0.009 CID_999

CID_999
0.0340.0450.049Thymidine kinase inhibitor

0.049 0.02 CID_999

CID_999
0.0080.020.011Thrombopoietin agonist

0.011 0.01 CID_999

CID_999
0.0130.0260.027Neutral endopeptidase inhibitor

0.027 0.013 CID_999

CID_999
0.0450.0590.058Nicotinic alpha3beta2 receptor antagonist

0.058 0.029 CID_999

CID_999
0.0610.0750.089CYP2A6 inhibitor

0.089 0.042 CID_999

CID_999
0.0150.030.02Retinoic acid beta receptor agonist

0.02 0.014 CID_999

CID_999
0.0120.0270.016Angiotensin-converting enzyme 2 inhibitor

0.016 0.015 CID_999

CID_999
0.0040.0190.007DNA topoisomerase III inhibitor

0.007 0.005 CID_999

CID_999
0.0080.0230.013N-Acetylated alpha-linked acidic dipeptidase inhibitor

0.013 0.012 CID_999

CID_999
0.0540.070.058Trypsin inhibitor

0.058 0.054 CID_999

CID_999
0.0360.0530.049Metalloproteinase-3 inhibitor

0.049 0.034 CID_999

CID_999
0.0970.1140.111Sphingosine 1-phosphate receptor 2 agonist

0.111 0.072 CID_999

CID_999
0.0640.0810.105Calcium antagonist

0.105 0.045 CID_999

CID_999
0.0210.0380.031LFA antagonist

0.031 0.014 CID_999

CID_999
0.0740.0920.085Protein kinase (CK2) inhibitor

0.085 0.077 CID_999

CID_999
0.0340.0530.05Dihydroorotase inhibitor

0.05 0.025 CID_999

CID_999
0.0820.1010.0975 Hydroxytryptamine 3A agonist

0.097 0.079 CID_999

CID_999
0.0220.0410.028Thymidine kinase (Herpes simplex virus 1) inhibitor

0.028 0.015 CID_999

CID_999
0.020.040.03Acid ceramidase inhibitor

0.03 0.01 CID_999

CID_999
0.0070.0270.014Integrin beta2 antagonist

0.014 0.008 CID_999

CID_999
0.0220.0430.039Leukotriene A4 hydrolase inhibitor

0.039 0.026 CID_999

CID_999
0.0220.0430.029Purinergic P2Y15 antagonist

0.029 0.018 CID_999

CID_999
0.0130.0370.019Bombesin 3 receptor agonist

0.019 0.013 CID_999

CID_999
0.0270.0510.043Glutamate (mGluR group II) antagonist

0.043 0.022 CID_999

CID_999
0.0250.050.04Diamine oxidase inhibitor

0.04 0.023 CID_999

CID_999
0.0550.0810.076Epoxide hydrolase inhibitor

0.076 0.046 CID_999

CID_999
0.0860.1120.096Beta amyloid protein antagonist

0.096 0.095 CID_999

CID_999
0.0150.0410.022Bombesin agonist

0.022 0.015 CID_999

CID_999
0.0240.0510.036TRPM8 blocker

0.036 0.03 CID_999

CID_999
0.0320.060.05Nerve growth factor antagonist

0.05 0.018 CID_999

CID_999
0.010.0380.018Kainate receptor 3 antagonist

0.018 0.01 CID_999

CID_999
0.070.0990.097Protease inhibitor

0.097 0.068 CID_999

CID_999
0.0760.1060.101Nitric-oxide synthase inhibitor

0.101 0.058 CID_999

CID_999
0.0060.0370.013Carbonic anhydrase XI inhibitor

0.013 0.008 CID_999

CID_999
0.0310.0610.041Stearoyl-CoA desaturase inhibitor

0.041 0.036 CID_999

CID_999
0.1260.160.244Anticonvulsant

0.244 0.059 CID_999

CID_999
0.0120.0460.03Hypoxanthine phosphoribosyltransferase inhibitor

0.03 0.018 CID_999

CID_999
0.1680.2050.27Immunomodulator

0.27 0.1 CID_999

CID_999
0.0180.0550.028Peptide deformylase inhibitor

0.028 0.023 CID_999

CID_999
0.0240.0630.044Endothelin-converting enzyme inhibitor

0.044 0.035 CID_999

CID_999
0.0370.0750.049HCV NS3/NS4A protease inhibitor

0.049 0.035 CID_999

CID_999
0.0510.090.097Glutamate receptor agonist

0.097 0.039 CID_999

CID_999
0.0520.0920.07Calcium channel L-type blocker

0.07 0.052 CID_999

CID_999
0.0550.0960.068Adenosine A3 receptor antagonist

0.068 0.061 CID_999

CID_999
0.0190.0610.024Complement factor 1s inhibitor

0.024 0.022 CID_999

CID_999
0.0510.0960.081Histamine H1 receptor antagonist

0.081 0.056 CID_999

CID_999
0.0090.0540.021Kainate receptor 5 antagonist

0.021 0.014 CID_999

CID_999
0.0230.070.04Purinergic P2Y antagonist

0.04 0.036 CID_999

CID_999
0.0110.0590.024Kainate receptor 4 antagonist

0.024 0.018 CID_999

CID_999
0.020.070.034AMPA receptor agonist

0.034 0.026 CID_999

CID_999
0.0820.1320.098Factor V inhibitor

0.098 0.074 CID_999

CID_999
0.0320.0830.049Aldosterone antagonist

0.049 0.03 CID_999

CID_999
0.0920.1440.129Cytidine deaminase inhibitor

0.129 0.092 CID_999

CID_999
0.0420.1030.062Potassium channel intermediate-conductance Ca-activated blocker

0.062 0.038 CID_999

CID_999
0.0090.070.028Cholecystokinin B antagonist

0.028 0.024 CID_999

CID_999
0.0150.0780.035G protein-coupled receptor agonist

0.035 0.029 CID_999

CID_999
0.0170.0810.029Epoxide hydrolase 1 inhibitor

0.029 0.026 CID_999

CID_999
0.0460.1110.068Nicotinic alpha4beta2 receptor antagonist

0.068 0.064 CID_999

CID_999
0.0120.0790.047Cholecystokinin antagonist

0.047 0.026 CID_999

CID_999
0.1080.1760.133MAP kinase 3 inhibitor

0.133 0.099 CID_999

CID_999
0.0270.0950.066Glutamate (mGluR1) antagonist

0.066 0.033 CID_999

CID_999
0.0230.0940.041Histamine H2 receptor agonist

0.041 0.033 CID_999

CID_999
0.020.0950.049Glutamate (mGluR group I) agonist

0.049 0.032 CID_999

CID_999
0.0670.1450.078T cell inhibitor

0.078 0.075 CID_999

CID_999
0.1210.220.17Cardiotonic

0.17 0.152 CID_999

CID_999
0.0240.1270.042Histamine H1 receptor agonist

0.042 0.034 CID_999

CID_999
Ext Pa Pi Pmax Activity Other Results ID Pa_max