Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM102944
| 5 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | - Beta-secretase 1
- Cytochrome P450 3A
| - US8541427, 15
- US8541427, 206
- US8541427, 44
- US8541427, 45
|
BDBM10309
| 8 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | - Caspase-1
- Caspase-2
- Caspase-3
- Caspase-4
- Caspase-6
- Caspase-7
- Caspase-8
- Caspase-9
| - 5-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1H-indole-2,3-dione
- 5-[1-(Pyrrolidinyl)sulfonyl]isatin
- Isatin Sulfonamide 20
|
BDBM10315
| 8 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | - Caspase-1
- Caspase-2
- Caspase-3
- Caspase-4
- Caspase-6
- Caspase-7
- Caspase-8
- Caspase-9
| - (S)-5-{1-[2-(Anilinomethyl)pyrrolidinyl]sulfonyl}isatin
- 5-{[(2S)-2-[(phenylamino)methyl]pyrrolidine-1-]sulfonyl}-2,3-dihydro-1H-indole-2,3-dione
- Isatin Sulfonamide 26
|
BDBM103737
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - JAK1 (aa850-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US10206907, Compound 234
- US8563545, 11
|
BDBM103815
| 7 | 0 | 0 | 3 | 0 | 0 | 0 | 0 | - Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Muscarinic acetylcholine receptor M3
| - US8551978, I-85
- US8816088, I-85
- US9394275, I-86
- US9572802, Compound I-87
- US9682957, I-85
|
BDBM104500
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - Cytochrome P450 1A
- Cytochrome P450 2B6
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
- Sodium/glucose cotransporter 1 (SGLT1)
- Sodium/glucose cotransporter 2 (SGLT2)
| |
BDBM10452
| 8 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A (5-HT1A)
- Acetylcholinesterase
- Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
- Adrenergic alpha1B
- Alpha-1A adrenergic receptor
- Alpha-1D adrenergic receptor
| - Bivalent 4-Aminoquinoline 9f
- N,N-di-4-Quinolyl-1,7-diaminoheptane dihydrochloride
- N-[7-(quinolin-4-ylamino)heptyl]quinolin-4-amine dihydrochloride
|
BDBM106971
| 4 | 5 | 0 | 1 | 0 | 0 | 0 | 0 | - Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
- Orexin receptor type 1
- Orexin receptor type 2
- Pregnane X receptor (PXR)
| |
BDBM10709
| 1 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Bile salt export pump
- Cholinesterase
- Neuronal acetylcholine receptor subunit alpha-4
| - 1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-methylcarbamate
- CHEMBL11773
- Eserine
- Physostigmine
|
BDBM107484
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
| - US8575157, 194
- US8592410, Comparator 6
- US8598163, 64
|
BDBM107485
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
| - US8575157, 199
- US8592410, Comparator 11
- US8598163, 69
|
BDBM107487
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
| - US8575157, 201
- US8592410, Comparator 13
- US8598163, 71
|
BDBM107488
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
| - US8575157, 202
- US8592410, Comparator 14
- US8598163, 72
|
BDBM107489
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - 11-beta-hydroxysteroid dehydrogenase 1
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 3A
| - US8575157, 203
- US8592410, Comparator 15
- US8598163, 73
|
BDBM107698
| 0 | 8 | 0 | 2 | 0 | 0 | 0 | 0 | - Egl nine homolog 1
- Egl nine homolog 3
- Vascular endothelial growth factor A
| - US8598210, Table XV, 4
- US8722895, 4: [(3-Hydroxy-5-(4-methylphenyl)pyridine-2- carbonyl)amino]-acetic acid
- US9598370, Example 00129
|
BDBM108106
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Coagulation factor XI
- Complement C1r subcomponent
- Complement C1s
- Factor XIIa
- Plasma kallikrein
- Plasminogen
- Tissue-type plasminogen activator
- Transcription initiation factor IIA
- Vitamin K-dependent protein C
| |
BDBM108110
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Coagulation factor XI
- Complement C1s
- Factor XIIa
- Plasma kallikrein
- Plasminogen
- Tissue-type plasminogen activator
- Transcription initiation factor IIA
- Vitamin K-dependent protein C
| |
BDBM108115
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Coagulation factor XI
- Complement C1r subcomponent
- Complement C1s
- Factor XIIa
- Plasma kallikrein
- Plasminogen
- Transcription initiation factor IIA
- Vitamin K-dependent protein C
| |
BDBM108116
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Coagulation factor XI
- Complement C1r subcomponent
- Complement C1s
- Factor XIIa
- Plasma kallikrein
- Plasminogen
- Tissue-type plasminogen activator
- Transcription initiation factor IIA
- Vitamin K-dependent protein C
| |
BDBM10844
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 5 (CDK5)
- Dual specificty protein kinase CLK1
- Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
- Glycogen Synthase Kinase-3, beta
- Glycogen synthase kinase-3 beta
- NF-kappa-beta-inducing kinase (NF-kB)
- cAMP-Dependent Protein Kinase (PKA)
- cGMP-Dependent Protein Kinase
| - 4-(1H-indol-3-yl)pyrimidin-2-amine
- Meridianin G
|
BDBM109233
| 0 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - Apoptosis Regulator Bcl-xL
- Apoptosis regulator Bcl-2
- BCL-W
- Bcl-2-like protein 1
- Induced myeloid leukemia cell differentiation protein Mcl-1
| - 2-(8-(2-(Benzothiazol-2-yl)hydrazono)-5,6,7,8-tetrahydronaphthalen-2-yl)thiazole-4-carboxylic acid (Compound 4)
- CHEMBL2398260
|
BDBM109236
| 0 | 6 | 4 | 0 | 0 | 0 | 0 | 0 | - Apoptosis Regulator Bcl-xL
- Apoptosis regulator Bcl-2
- BCL-W
- Induced myeloid leukemia cell differentiation protein Mcl-1
| |
BDBM10949
| 1 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Cholinesterase
| - 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
|
BDBM10999
| 5 | 2 | 3 | 0 | 0 | 0 | 0 | 0 | - Adrenergic receptor alpha-2
- Cytochrome P450 130
- Cytochrome P450 130 (G243A)
- Cytochrome P450 142 (CYP142)
- Lysyl oxidase homolog 2
- Phenylethanolamine N-methyltransferase
- Trypsin-1
- Urease
| - Benzenemethanamine
- CHEMBL522
- benzylamine
- phenylmethanamine
|
BDBM11021
| 7 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | - Amine oxidase [flavin-containing] A
- Amine oxidase [flavin-containing] B
- Monoamine Oxidase Type B (MAO-B)
- Monoamine oxidase type B (MAO-B) Mutant (I199F)
- Neuraminidase A
- Uridine-5'-diphosphoglucuronosyltransferase 1A1
| - (2E,6E)-3,7,11-trimethyldodeca-2,6,10-trien-1-ol
- trans,trans-Farnesol
|
BDBM11325
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 7
- N-hydroxy-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido]acetamide
|
BDBM11332
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 13
- N-hydroxy-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido]propanamide
- N-n-Perfluorobutylsulfonyl-alanine hydroxamate
|
BDBM11334
| 9 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 15
- N-hydroxy-2-[(4-methoxybenzene)sulfonamido]propanamide
|
BDBM11338
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 19
- N-hydroxy-3-methyl-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido]butanamide
|
BDBM11344
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 25
- N-hydroxy-4-methyl-2-[(1,1,2,2,3,3,4,4,4-nonafluorobutane)sulfonamido]pentanamide
|
BDBM11346
| 10 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
| - Hydroxamate 27
- N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-4-methylpentanamide
|
BDBM11463
| 2 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - Dipeptidyl peptidase 2 (DPP II)
- Dipeptidyl peptidase 4
- Dipeptidyl peptidase 9
- Dipeptidyl peptidase VIII
- Potassium voltage-gated channel subfamily H member 2
| - CHEMBL22310
- N-{4-[(1S)-1-amino-2-[(3S)-3-fluoropyrrolidin-1-yl]-2-oxoethyl]cyclohexyl}-2,4-difluorobenzene-1-sulfonamide
- difluorobenzenesulfonamide 1
|
BDBM11868
| 6 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | - Collagenase
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
- Stromelysin-1
| - CHEMBL256157
- N-Hydroxy-4-{[(4-phenoxyphenyl)sulfonyl]methyl}-1-prop-2-ynylpiperidine-4-carboxamide Hydrochloride
- N-hydroxy-4-{[(4-phenoxybenzene)sulfonyl]methyl}-1-(prop-2-yn-1-yl)piperidine-4-carboxamide hydrochloride
- beta-sulfone 7e
|
BDBM120155
| 10 | 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
| |
BDBM120166
| 10 | 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
| |
BDBM120192
| 10 | 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
| |
BDBM120231
| 10 | 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
| |
BDBM120250
| 10 | 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
| |
BDBM120252
| 10 | 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
| |
BDBM120254
| 10 | 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
| |
BDBM120256
| 10 | 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
| |
BDBM120258
| 10 | 0 | 0 | 0 | 0 | 0 |