Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM10245
 | 0 | 2 | 0 | 13 | 0 | 0 | 0 | 0 | - HIV-1 Reverse Transcriptase
- Human immunodeficiency virus type 1 reverse transcriptase
| - 3-(2,6-difluorophenyl)-4-thia-2,7-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(12),6,8,10-tetraene
- CHEMBL53554
- NSC 625487
- TBZ
- Thiazolobenzimidazole
|
BDBM102618
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - 5'-AMP-activated protein kinase subunit beta-1
- ALK1
- ALK2
- ALK3
- ALK4
- ALK5
- Activin receptor type-1
- Activin receptor type-1B
- Activin receptor-like kinase 3 (ALK-3)
- Bone morphogenetic protein 4
- Bone morphogenetic protein receptor type-1B (BMPR1B) aa 168-495
- Bone morphogenetic protein receptor type-2
- Serine/threonine-protein kinase receptor R3
- TGF-beta receptor type II
- TGF-beta receptor type-1
| |
BDBM10889
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase (hpCA)
- Carbonic Anhydrase (mtCA 1)
- Carbonic Anhydrase (mtCA 3)
- Carbonic Anhydrase 2 (Can2)
- Carbonic Anhydrase VA
- Carbonic Anhydrase VB
- Carbonic Anhydrase XV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 9
- beta-Carbonic Anhydrase
| - 2-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]-5-sulfamoylbenzamide
- Sulmepride
- Sulpiride (SLP)
|
BDBM10949
 | 1 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Cholinesterase
- Cholinesterases
| - 3-(4-{[Benzyl(methyl)amino]methyl}-phenyl)-6,7-dimethoxy-2H-2-chromenone
- 3-(4-{[benzyl(methyl)amino]methyl}phenyl)-6,7-dimethoxy-2H-chromen-2-one
- AP2238
- CHEMBL75121
|
BDBM10958
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Carboxylic ester hydrolase
- Cholinesterases
| - (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
- CHEMBL74926
- US10864192, Compound (-)-Phenserine
- phenserine
- phenserine.tartaric acid
|
BDBM11023
 | 1 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Bile salt export pump
- Bile salt export pump (BSEP)
- Cholinesterases
- Genome polyprotein
| - (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate; 2-hydroxybenzoic acid
- Eserine
- cid_657348
- physostigmine.salicylic acid
|
BDBM11611
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - β-Carbonic anhydrase 2 (CA 2)
- β-Carbonic anhydrase 3 (CA 3)
- Astrosclerin-3
- Carbonic Anhydrase (mtCA 1)
- Carbonic Anhydrase III
- Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Carbonic anhydrase 9
| - β-CA inhibitor, 10
- 4-Amino-3,5-dibromobenzenesulfonamide
- 4-amino-3,5-dibromobenzene-1-sulfonamide
- CHEMBL306195
- halogenosulfanilamide deriv. 12
|
BDBM123097
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Cathepsin K
- Cathepsin S
- Procathepsin L
| - US10723709, Example 1
- US8735395, 1
- US9200006, 1
|
BDBM123098
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Cathepsin K
- Cathepsin S
- Procathepsin L
| - US10723709, Example 2
- US8735395, 2
- US9200006, 2
|
BDBM12345
 | 3 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytochrome P450 2A6
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 2E1
- Cytochrome P450 3A
| - CHEMBL178090
- US8609708, 2
- US8609708, 47
- [5-(pyridin-3-yl)furan-2-yl]methanamine
- nicotine 3-heteroaromatic analogue 2a
|
BDBM12348
 | 3 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytochrome P450 1A
- Cytochrome P450 2A6
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 2E1
- Cytochrome P450 3A
| - 3-(pyridin-3-yl)prop-2-yn-1-amine
- CHEMBL360541
- US8609708, 3
- nicotine 3-heteroaromatic analogue 3a
|
BDBM12357
 | 3 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytochrome P450 2A6
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 2E1
- Cytochrome P450 3A
- Indoleamine 2,3-dioxygenase
| - 3-(1H-imidazol-4-yl)pyridine
- CHEMBL178516
- JMC514968 Compound 7
- US8609708, 14
- US8609708,14
- nicotine 3-heteroaromatic analogue 10
|
BDBM12985
 | 3 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | - Aurora kinase A/B
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Serine/threonine-protein kinase Aurora-C
- Tyrosine-protein kinase ABL1
| - 5-Amido-pyrrolopyrazole 9d
- CHEMBL402548
- N-{5-[(2R)-2-methoxy-2-phenylacetyl]-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazol-3-yl}-4-(4-methylpiperazin-1-yl)benzamide
|
BDBM143373
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6
- Cytochrome P450 3A
- Fatty-acid amide hydrolase 1
- Fatty-acid amide hydrolase 1 (aa 30-579)
| - US9682953, 20.A-10
- US9682953, 20.A-9
|
BDBM145227
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Sodium channel protein type 5 subunit alpha
- Sodium channel protein type 9 subunit alpha
| - US8952169, 6
- US9771376, Example 6
|
BDBM158155
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Insulin receptor
- Insulin-like growth factor I receptor
| - US10081622, Compound 4
- US9029356, 4
- US9255087, 4
- US9616059, 4
|
BDBM158156
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Insulin receptor
- Insulin-like growth factor I receptor
| - US10081622, Compound 26
- US9029356, 26
- US9255087, 26
- US9616059, 26
|
BDBM162123
 | 3 | 11 | 1 | 0 | 0 | 0 | 0 | 0 | - Apoptosis regulator Bcl-2
- Baculoviral IAP repeat-containing protein 2
- Cytochrome P450 3A
- E3 ubiquitin-protein ligase Mdm2
- Induced myeloid leukemia cell differentiation protein Mcl-1
- MDM2-MDMX
- X-linked inhibitor of apoptosis protein (XIAP)
- p53-Binding Protein HDMX
| |
BDBM164065
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 195
- US9475819, 195
- US9637496, 379
- US9695183, 195
|
BDBM164080
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 210
- US9475819, 235
- US9637496, 210
- US9695183, 210
- US9695183, 235
|
BDBM164136
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 266
- US9475819, 266
- US9637496, 409
- US9695183, 266
|
BDBM164808
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytoplasmic tyrosine-protein kinase BMX
- Receptor protein-tyrosine kinase erbB-4
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase ITK/TSK
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase TEC
- Tyrosine-protein kinase TXK
| - US10604504, Example 5
- US9688629, 5
- US9802915, Example 22
- US9920031, Example 5
|
BDBM164883
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Axin-1/Glycogen synthase kinase-3 beta
- CDK2/Cyclin A1
- CDK3/E
- Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 5 (CDK5)
- Cyclin-Dependent Kinase 9 (CDK9)
- Cyclin-dependent kinase 1
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 3 (CDK3)
- Cyclin-dependent kinase 6
- Cyclin-dependent kinase 7
- Cyclin-dependent kinase 9
- Cyclin-dependent-like kinase 5
- Glycogen synthase kinase-3
- Interleukin-1 receptor-associated kinase 1
| |
BDBM16512
 | 0 | 12 | 1 | 0 | 0 | 0 | 0 | 0 | - Aldehyde reductase
- Aldose Reductase (ALR2) Mutant (L300P)
- Aldose reductase
- Aldose reductase (AR)
| - (2S,4S)-6-fluoro-2',5'-dioxo-2,3-dihydrospiro[1-benzopyran-4,4'-imidazolidine]-2-carboxamide
- (2S,4S)-6-fluoro-2,5-dioxo-2,3-dihydrospiro[chromene-4,4-imidazolidine]-2-carboxamide
- CHEMBL84446
- Fidarestat
- Fidarestat (1)
|
BDBM173348
 | 5 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
| - US10323032, Example 66
- US9096596, 66
- US9604982, Example 66
|
BDBM18807
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate reductase
- Thymidylate Synthase (TS)
- Thymidylate synthase
| - 2-amino-6-methyl-5-[(4-nitrophenyl)sulfanyl]-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
- CHEMBL400364
- Pyrrolo[2,3-d]pyrimidine analogue, 2
|
BDBM18808
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Dihydrofolate reductase
- Thymidylate Synthase (TS)
- Thymidylate synthase
| - 2-amino-5-[(3,4-dichlorophenyl)sulfanyl]-6-methyl-3H,4H,7H-pyrrolo[2,3-d]pyrimidin-4-one
- CHEMBL400485
- Pyrrolo[2,3-d]pyrimidine analogue, 3
|
BDBM190665
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Nitric Oxide Synthase, brain Mutant (D597N)
- Nitric Oxide Synthase, endothelial
- Nitric Oxide Synthase, inducible
- Nitric oxide synthase mutant (nNOS M336V/D597N)
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- Nitric-oxide synthase, brain
- Nitric-oxide synthase, endothelial
| - US10759791, Compound 14g
- nNOS inhibitor, 3
|
BDBM190666
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Nitric Oxide Synthase, brain Mutant (D597N)
- Nitric Oxide Synthase, endothelial
- Nitric Oxide Synthase, inducible
- Nitric oxide synthase mutant (nNOS M336V/D597N)
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- Nitric-oxide synthase, brain
- Nitric-oxide synthase, endothelial
| - US10759791, Compound 14h
- nNOS inhibitor, 4
|
BDBM190668
 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Nitric Oxide Synthase, brain Mutant (D597N)
- Nitric Oxide Synthase, endothelial
- Nitric Oxide Synthase, inducible
- Nitric oxide synthase mutant (nNOS M336V/D597N)
- Nitric oxide synthase, brain
- Nitric oxide synthase, endothelial
- Nitric oxide synthase, inducible
- Nitric-oxide synthase, brain
- Nitric-oxide synthase, endothelial
| - US10759791, Compound 14k
- nNOS inhibitor, 6
|
BDBM19151
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Bromodomain-containing protein 4
- Cereblon/Histone deacetylase 1
- Cereblon/Histone deacetylase 4
- Cereblon/Histone deacetylase 6
- Histone Deacetylase 6 (HDAC6)
- Histone deacetylase 1
- Histone deacetylase 2
- Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
- Histone deacetylase 4
| - (1S,4S,7Z,10S,16E,21R)-7-ethylidene-4,21-bis(propan-2-yl)-2-oxa-12,13-dithia-5,8,20,23-tetraazabicyclo[8.7.6]tricos-16-ene-3,6,9,19,22-pentone
- Antibiotic FR 901228
- CHEMBL343448
- Depsipeptide
- FK228
- Romidepsin
|
BDBM191596
 | 0 | 13 | 2 | 0 | 0 | 0 | 0 | 0 | - Lysine-specific demethylase 5A
- Lysine-specific demethylase 5A (KDM5A(aa 1-1090)-Flag)
- Lysine-specific demethylase 5A (KDM5A(aa 1-588)ΔAP)
- Lysine-specific demethylase 5A (KDM5A(aa 1-739)ΔAP(2C-2S))
- Lysine-specific demethylase 5B
- Lysine-specific demethylase 5B (KDM5B(aa 1-604)ΔAP)
- Lysine-specific demethylase 5B (KDM5B(aa 1-755)ΔAP)
- Lysine-specific demethylase 5C
- Lysine-specific demethylase 5C (KDM5C(aa 1-789)ΔAP)
- Lysine-specific demethylase 5D (KDM5D(aa 1-760)ΔAP)
| - 6-isopropyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile (N8)
|
BDBM197160
 | 0 | 12 | 0 | 3 | 0 | 0 | 0 | 0 | - Isocitrate dehydrogenase [NADP] cytoplasmic
- L-lactate dehydrogenase A chain
- L-lactate dehydrogenase B chain
- Lactate dehydrogenase A (LDHA)
- Lactate dehydrogenase B (LDHB)
| |
BDBM197287
 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | | |
BDBM202716
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 62
- US10709712, Example 62
- US9242969, 62
- US9694016, 62
|
BDBM202770
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 117
- US10709712, Example 117
- US9242969, 117
- US9694016, 117
|
BDBM202787
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 134
- US10709712, Example 134
- US9242969, 134
- US9694016, 134
|
BDBM202791
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 138
- US10709712, Example 138
- US9242969, 138
- US9694016, 138
|
BDBM202798
 | 0 | 14 | 0 | 1 | 0 | 0 | 0 | 0 | - B-RAF V600E
- C-RAF
- RAF proto-oncogene serine/threonine-protein kinase
- Serine/threonine-protein kinase B-raf
| - US10245267, Example 145
- US10709712, Example 145
- US9242969, 145
- US9694016, 145
|
BDBM207556
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - B-RAF V600E
- Poly [ADP-ribose] polymerase 1
- Poly [ADP-ribose] polymerase 2
- Poly [ADP-ribose] polymerase 3 (PARP-3)
- Poly [ADP-ribose] polymerase tankyrase-2
- Protein mono-ADP-ribosyltransferase PARP3
- TPoly [ADP-ribose] polymerase tankyrase-2
| - US10501467, Example 2
- US9260440, 1
- US9617273, Example 1
|
BDBM21691
 | 0 | 15 | 0 | 0 | 0 | 0 | 0 | 0 | - Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cytochrome P450 3A
- DNA Gyrase
- DNA Topoisomerase IV
- DNA gyrase subunit A
- DNA gyrase subunit B
- DNA topoisomerase II
- Multidrug resistance-associated protein 4
| - 1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- Nalidixic Acid
- Nalidixin
- NegGram
- Nevigramon
- US9138393, Nalidixic acid
- US9144538, Nalidixic acid
|
BDBM21725
 | 5 | 9 | 0 | 1 | 0 | 0 |
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