Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM10441
 | 7 | 11 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
- Cholinesterase
| - (+)-Huperzine A
- (+/-)Huperzine A
- (-)-Huperzine A
- (13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
- (1R,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
- (1S,13E)-1-amino-13-ethylidene-11-methyl-6-azatricyclo[7.3.1.0^{2,7}]trideca-2(7),3,10-trien-5-one
- (5S,11E)-5-amino-11-ethylidene-7-methyl-5,6,9,10-tetrahydro-5,9-methanocycloocta[b]pyridin-2(1H)-one
- Huperzine A
|
BDBM10972
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Cholinesterase
| - (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-heptylcarbamate
- CHEMBL433041
- Eptastigmine
- Heptylphysostigmine
|
BDBM120212
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Collagenase
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase 10
- Matrix metalloproteinase 14
- Matrix metalloproteinase-1 (MMP1)
- Matrix metalloproteinase-12 (MMP12)
- Matrix metalloproteinase-7 (MMP7)
- Stromelysin-1
| - US8691753, 61
- US8691753, 72
|
BDBM120246
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Collagenase
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase 10
- Matrix metalloproteinase 14
- Matrix metalloproteinase-1 (MMP1)
- Matrix metalloproteinase-12 (MMP12)
- Matrix metalloproteinase-7 (MMP7)
- Stromelysin-1
| - US8691753, 95
- US8691753, 96
|
BDBM127657
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 30
- US9782415, Example 30
- US9796724, Example 30
|
BDBM127679
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 52
- US9782415, Example 52
- US9796724, Example 52
|
BDBM127718
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 91
- US9782415, Example 91
- US9796724, Example 91
|
BDBM127720
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 93
- US9782415, Example 93
- US9796724, Example 93
|
BDBM127725
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 98
- US9782415, Example 98
- US9796724, Example 98
|
BDBM127733
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 106
- US9782415, Example 106
- US9796724, Example 106
|
BDBM127741
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 114
- US9782415, Example 114
- US9796724, Example 114
|
BDBM127750
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 123
- US9782415, Example 123
- US9796724, Example 123
|
BDBM127751
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 124
- US9782415, Example 124
- US9796724, Example 124
|
BDBM127767
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 140
- US9782415, Example 140
- US9796724, Example 140
|
BDBM127817
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - High affinity nerve growth factor receptor
- JAK1 (aa 866-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyk2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US8791123, 190
- US9782415, Example 190
- US9796724, Example 190
|
BDBM14147
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Trypsin
- Urokinase-type plasminogen activator
| - APC-10818
- {amino[6-fluoro-2-(2-hydroxy-3-phenylphenyl)-1H-1,3-benzodiazol-5-yl]methylidene}azanium
|
BDBM14149
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Trypsin
- Urokinase-type plasminogen activator
| - 6-fluoro-2-(2-hydroxy-3-{[(1S,2S)-2-methylcyclohexyl]oxy}phenyl)-1H-indole-5-carboximidamide
- APC-11092
|
BDBM14154
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Trypsin
- Urokinase-type plasminogen activator
| - 2-{5-[amino(iminiumyl)methyl]-6-chloro-1H-1,3-benzodiazol-2-yl}-6-(2-methylpropoxy)benzen-1-olate
- APC-10972
|
BDBM143754
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US10183953, Example 15
- US8969352, 15
- US9611277, Example 15
|
BDBM143758
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US10183953, Example 19
- US8969352, 19
- US9611277, Example 19
|
BDBM150
 | 13 | 2 | 1 | 0 | 1 | 1 | 0 | 0 | - HIV-1 Protease
- HIV-1 protease
- Human immunodeficiency virus type 1 protease
| - (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({[4-(hydroxymethyl)phenyl]methyl})-1,3-diazepan-2-one
- DMP323
|
BDBM15339
 | 1 | 17 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate reductase
- Dihydroorotate Dehydrogenase (DHODH)
- Dihydroorotate dehydrogenase
| - 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methyl-quinoline-4-carboxylic acid
- 6-fluoro-2-[4-(2-fluorophenyl)phenyl]-3-methylquinoline-4-carboxylic acid
- Biphenquinate
- Brequinar
|
BDBM164075
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 205
- US9475819, 205
- US9637496, 230
- US9695183, 205
- US9695183, 230
|
BDBM164077
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 207
- US9475819, 207
- US9637496, 229
- US9695183, 207
- US9695183, 229
|
BDBM164903
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - BDNF/NT-3 growth factors receptor
- BDNF/NT-3 growth factors receptor (TRKB)
- High affinity nerve growth factor receptor
- Macrophage colony-stimulating factor 1 receptor
- Macrophage colony-stimulating factor 1 receptor (c-FMS)
| - US10166239, Ex. 3-28
- US9067914, Ex. 3-17
- US9067914, Ex. 3-28
|
BDBM18372
 | 4 | 10 | 1 | 2 | 0 | 0 | 0 | 0 | - 3-hydroxy-3-methylglutaryl-coenzyme A reductase (HMG-CoA)
- Bile Salt Export Pump, BSEP
- Bile salt export pump (BSEP)
- HMG-CoA reductase
- Retinal rod rhodopsin-sensitive cGMP 3',5'-cyclic phosphodiesterase subunit delta
| - (3R,5S,6E)-7-[4-(4-fluorophenyl)-2-(N-methylmethanesulfonamido)-6-(propan-2-yl)pyrimidin-5-yl]-3,5-dihydroxyhept-6-enoic acid
- CHEMBL1496
- Ros
- Rosuvastatin
- US9102656, Rosuvastatin
- ZD4522
|
BDBM1866
 | 1 | 16 | 0 | 1 | 0 | 0 | 0 | 0 | - HIV-1 Reverse Transcriptase
- HIV-1 Reverse Transcriptase Mutant (L100I)
- HIV-1 Reverse Transcriptase Mutant (Y181C)
- Human immunodeficiency virus type 1 reverse transcriptase
| - 3-(5-bromopyridin-2-yl)-1-[2-(pyridin-2-yl)ethyl]thiourea hydrochloride
- LY-300046 HCl
- LY300046HCl
- N-(2-(2-Pyridylethyl))-N -(2-(5-bromopyridyl))thiourea
- PETT deriv.
- Trovirdine
|
BDBM18797
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate Reductase (DHFR)
- Dihydrofolate reductase
- Dihydrofolate reductase (DHFR)
- Thymidylate Synthase (TS)
- Thymidylate synthase
- Thymidylate synthase (EC 2.1.1.45) (TS) (TSase)
| - (2S)-2-{[4-({2-amino-6-methyl-4-oxo-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}sulfanyl)phenyl]formamido}pentanedioic acid
- CHEMBL225180
- Pyrrolo[2,3-d]pyrimidine analogue, 1
|
BDBM19
 | 4 | 3 | 2 | 0 | 0 | 0 | 0 | 0 | - Aminoacyl-tRNA synthetase
- Anthrax Lethal Factor (LF)
- Bile salt export pump
- Human immunodeficiency virus type 1 REV
- Phosphatidylcholine specific phospholipase C, PC-PLC
- Phosphatidylcholine-retinol O-acyltransferase
- Phosphoinositide specific phospholipase C, PI-PLC
- RNA(23-mer)
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
| - (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-{[(2R,3S,4R,5S)-5-{[(1R,2R,3S,5R,6S)-3,5-diamino-2-{[(2R,3R,4R,5S,6R)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy}-6-hydroxycyclohexyl]oxy}-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}oxane-3,4-diol
- KDR Kinase Inhibitor, 3
- Neomycin
- Neomycin B
|
BDBM19023
 | 16 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Thrombin and coagulation factor X
| - 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-1H,4H,5H,6H,7H-pyrazolo[3,4-c]pyridine-3-carboxamide
- Apixaban
- BMS-562247
- CHEMBL231779
|
BDBM198218
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - Non-receptor tyrosine-protein kinase TYK2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- jak2
| - US9216999, 26
- US9556187, Example 84
|
BDBM2
 | 6 | 2 | 0 | 5 | 0 | 0 | 0 | 0 | - Cholecystokinin
- Heat Shock 70kDa Protein 1
- P2X purinoceptor 2
- P2X purinoceptor 3
- Purinergic receptor P2Y1
- Purinergic receptor P2Y11
- Purinergic receptor P2Y2
- Thymidine Kinase (TK.dT)
- adrenergic Alpha2
- tRNA synthetase (GlyRS)
| - ({[({[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)phosphonic acid
- ATP
- Brimonidine ATP
- CHEMBL14249
|
BDBM20732
 | 0 | 12 | 5 | 1 | 0 | 0 | 0 | 0 | - HSP90 and hnRNPA2/B1
- Heat Shock Protein 90 (Hsp90)
- Heat shock protein 75 kDa, mitochondrial
- Heat shock protein 90 beta
- Heat shock protein HSP 90
- Heat shock protein HSP 90-alpha
| - (4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14,19-trimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl carbamate
- BODIPY-labeled Geldanamycin
- CHEMBL278315
- GM-BODIPY
- Geldanamycin
- geldanomycin
|
BDBM207628
 | 0 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | - Histone Deacetylase 10 (HDAC10)
- Histone deacetylase 1
- Histone deacetylase 2
- Histone deacetylase 3
- Histone deacetylase 4
- Histone deacetylase 5
- Histone deacetylase 6
- Histone deacetylase 7
- Histone deacetylase 8
- Histone deacetylase 9
| - US9265734, RGFA8
- US9796664, Compound RGFA8
|
BDBM21021
 | 7 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | - Delta-type opioid receptor
- Neurokinin 1 receptor
- Nociceptin/mu opioid receptor
- Substance-P receptor
- mu/kappa opioid receptor
| - Bifunctional Peptide Ligand, 5 (TY005)
- CHEMBL389652
- H-Tyr-D-Ala-Gly-Phe-Met-Pro-Leu-Trp-O-3,5-Bzl(CF3)2
- [3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-4-(methylsulfanyl)butanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate
|
BDBM21282
 | 14 | 1 | 0 | 3 | 0 | 0 | 0 | 0 | - Bile acid receptor
- Cannabinoid receptor 1
- Cannabinoid receptor 2
- Pregnane X receptor (PXR)
| - 2-methyl-3-(naphthalen-1-ylcarbonyl)-1-propyl-1H-indole
- CHEMBL306764
- JWH-015
|
BDBM213240
 | 0 | 0 | 9 | 0 | 0 | 0 | 0 | 0 | - Caseinolytic protein C1 (ClpC1 NTD E89A)
- Caseinolytic protein C1 (ClpC1 NTD E89Q)
- Caseinolytic protein C1 (ClpC1 NTD F2A)
- Caseinolytic protein C1 (ClpC1 NTD F2Y)
- Caseinolytic protein C1 (ClpC1 NTD F80A)
- Caseinolytic protein C1 (ClpC1 NTD F80Y)
- Caseinolytic protein C1 (ClpC1 NTD)
- Caseinolytic protein C1 (ClpC1 NTD-D1)
- Caseinolytic protein C1 (ClpC1)
| |
BDBM21675
 | 0 | 0 | 0 | 18 | 0 | 0 | 0 | 0 | - Bile acid receptor
- G-protein coupled bile acid receptor 1
| - (4R)-4-[(1S,2S,5R,7S,8R,9R,10S,11S,14R,15R)-8-ethyl-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]pentanoic acid
- 6-ECDCA
- 6-ethyl chenodeoxycholic acid
- 6-ethyl-3,7-dihydroxycholan-24-oic acid
- 6ECDCA
- 6alpha-Ethyl-Chenodeoxycholic Acid
- INT-747
- INT747
- Ocaliva
- US10208081, E6-ECDCA
- obeticholic acid
|
BDBM21842
 | 13 | 0 | 1 | 4 | 0 | 0 | 0 | 0 | - Delta-type opioid receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Nociceptin receptor
- Nociceptin/Orphanin FQ, NOP receptor
- Nociceptin/mu opioid receptor
- Opioid receptors; mu & delta
| - (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]propanamido]butanediamido]-4-carbamoylbutanoic acid
- N/OFQ
- OFQ 1-17
- OFQ/N
- Orphanin FQ
- [125I]-nociceptin
- nociceptin
|
BDBM21960
 | 18 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Nitric Oxide Synthase, brain
- Nitric Oxide Synthase, brain Mutant (D597N)
- Nitric Oxide Synthase, endothelial
- Nitric Oxide Synthase, endothelial Mutant (N368D)
- Nitric Oxide Synthase, inducible
- Nitric-oxide synthase, brain
| - 3-[(4S)-4-amino-5-[(2-aminoethyl)amino]pentyl]-1-nitroguanidine
- CHEMBL227937
- JMC522060 Compound 2
- N omega-Nitro-L-Arginine-Containing Dipeptide, 1
|
BDBM22888
 | 17 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | - Alpha-1A adrenergic receptor
- HRH3
- Histamine H1 receptor
- Histamine H2 receptor
- Histamine H3 receptor
- Histamine H4 receptor
- Histamine receptor (H3)
| - 1-[4-(1H-imidazol-5-yl)butyl]-3-methylthiourea
- Burimamide
- CHEMBL12160
|
BDBM23222
 | 4 | 14 | 0 | 0 | 0 | 0 |
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