Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM103728
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - JAK1 (aa850-1154)
- JAK2 (aa 808-1132)
- JAK3 (aa 781-1124)
- Non-receptor tyrosine-protein kinase TYK2
- TYK2 (aa871-1187)
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
| - US10206907, Compound 18
- US8563545, 2
|
BDBM104065
| 0 | 8 | 6 | 0 | 0 | 0 | 0 | 0 | - Death-associated protein kinase 1
- Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 2 (DYRK2)
- Interleukin-1 receptor-associated kinase 4
- Myosin light chain kinase, smooth muscle
- Rho-associated protein kinase 2
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase pim-2
- Serine/threonine-protein kinase pim-3
| |
BDBM104169
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase PIM-3
- Serine/threonine-protein kinase pim-2
| - US8575145, 46/47/48/49/50
- US8575145, 77
- US8575145, 78
- US8575145, 79
- US8575145, 80
|
BDBM104692
| 10 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1
- Orexin receptor type 1 (OX1)
- Orexin receptor type 2
- Orexin receptor type 2 (OX2)
| |
BDBM10622
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
- Cholinesterase
| - (-)-Phenserine
- (3aS)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
- CHEMBL54727
|
BDBM10958
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Acetylcholinesterase and butyrylcholinesterase (AChE and BChE)
- Cholinesterase
| - (3aS,8aR)-1,3a,8-trimethyl-1H,2H,3H,3aH,8H,8aH-pyrrolo[2,3-b]indol-5-yl N-phenylcarbamate
- CHEMBL74926
- phenserine
- phenserine.tartaric acid
|
BDBM112499
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Epidermal growth factor receptor
- Proto-oncogene tyrosine-protein kinase Src
- Receptor tyrosine-protein kinase erbB-2
- Receptor tyrosine-protein kinase erbB-4
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
| - DACOMITINIB
- US8623883, No. 2
|
BDBM11331
| 11 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | - Bone morphogenetic protein 1
- Carbonic Anhydrase IV
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Collagenase
- Collagenase (ChC)
- Matrix Metalloproteinase-8 (MMP-8)
- Matrix metalloproteinase-1 (MMP1)
- Meprin A subunit beta
- Stromelysin-1
| - 2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyacetamide
- CGS 27023A Analog 22
- Hydroxamate 12
|
BDBM119531
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Peptidyl-prolyl cis-trans isomerase FKBP1B/Serine/threonine-protein kinase mTOR
- Phosphatidylinositol 3-kinase regulatory subunit alpha
- Phosphatidylinositol 3-kinase regulatory subunit beta
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform/gamma isoform
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
| - US9682141, 529
- US9682141, 54
|
BDBM121202
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Prokineticin receptor 1 (PRK1)
- Prokineticin receptor 2 (PRK2)
| - US8722896, (+)-(2S)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
- US8722896, (+/-)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
- US8722896, (-)-(2R)-2-Methyl-3-(indol-4- ylmethylamino)-N-(9-chloro- 3,4-dihydro-2H-1,5- benzodioxepin-7-ylmethyl)-N- isobutylpropanamide
|
BDBM12351
| 3 | 11 | 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
| - 3-(3-methylthiophen-2-yl)pyridine
- CHEMBL179669
- US8609708, 4
- nicotine 3-heteroaromatic analogue 4
|
BDBM12581
| 5 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - Farnesyl Diphosphate Synthase (FPPS)
- Farnesyl diphosphate synthase
- Farnesyl pyrophosphate synthase
- Geranylgeranyl Diphosphate Synthase (GGPPS)
- Hypoxanthine-guanine phosphoribosyltransferase
| - (3-amino-1-hydroxy-1-phosphonopropyl)phosphonic acid
- Bisphosphonate 6
- CHEMBL834
- JMC515594 Compound 62
|
BDBM136033
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Metabotropic glutamate receptor 1
- Metabotropic glutamate receptor 5
| - US8853203, 88
- US9650377, Example 88j
|
BDBM14142
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Hepsin
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Trypsin
- Trypsin-1
- Urokinase (uPA) Mutant (S190A)
- Urokinase-type plasminogen activator
| - 2-{5-[amino(iminiumyl)methyl]-1H-indol-2-yl}-6-phenylbenzen-1-olate
- 3-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-1,1-BIPHENYL-2-OLATE)
- APC-8696
- CA-04
- CRA-8696
|
BDBM14152
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor X
- Hepsin
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Trypsin
- Trypsin-1
- Urokinase (uPA) Mutant (S190A)
- Urokinase-type plasminogen activator
| - 6-CHLORO-2-(2-HYDROXY-BIPHENYL-3-YL)-1H-INDOLE-5-CARBOXAMIDINE
- APC-10302
- CA-14
- CRA-10302
- {amino[6-chloro-2-(2-hydroxy-3-phenylphenyl)-1H-indol-5-yl]methylidene}azanium
|
BDBM14210
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Aurora kinase A
- Aurora kinase B
- Aurora kinase B-A
- Cyclin-dependent kinase 1
- Epidermal growth factor receptor
- Serine/threonine-protein kinase Aurora-A
- Serine/threonine-protein kinase PLK1
| - 4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)-quinazoline
- CHEMBL202721
- N-[4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinazolin-4-yl}amino)phenyl]benzamide
- ZM447439
|
BDBM149919
| 4 | 10 | 0 | 0 | 0 | 0 | 0 | 0 | - Beta-secretase 1
- Potassium voltage-gated channel subfamily H member 2
| - US8975415, RP200
- US8975415, RP202
- US9242973, RP202
|
BDBM150811
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - C5a anaphylatoxin chemotactic receptor (C5aR)
- Chemokine receptor type 1 (CXCR1)
- Interleukin-8 receptors, CXCR1/CXCR2
- Interleukin-8 receptors, CXCR2
- Platelet activating factor receptor
- fMet-Leu-Phe receptor 1/2
| - US8981106, 1 (SX-517)
- USRE47267, Compound 1
|
BDBM15458
| 1 | 13 | 0 | 0 | 0 | 0 | 0 | 0 | - Cyclin-dependent kinase 1
- Dual specificity mitogen-activated protein kinase kinase 2
- Epidermal growth factor receptor
- Heat shock protein beta-1
- Mitogen-activated protein kinase 14
- Mitogen-activated protein kinase 9
- PKC alpha and beta-2
- Protein kinase C alpha type
- RAF proto-oncogene serine/threonine-protein kinase
- Tyrosine-protein kinase Lck
- c-Jun N-terminal kinase, JNK
| - 4-[4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl]-2-methoxypyrimidine
- 4-[4-(4-fluorophenyl)-1-piperidin-4-yl-1H-imidazol-5-yl]-2-methoxypyrimidine
- CHEMBL95692
- SB-242235
- SB242235
|
BDBM158157
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Aurora kinase A
- Aurora kinase B
- Insulin receptor
- Insulin-like growth factor I receptor
| - US10081622, Compound 18
- US9029356, 18
- US9255087, 18
- US9616059, 18
|
BDBM160062
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 3
- US10053463, 3
- US9040534, 3
|
BDBM160076
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 17
- US10053463, 17
- US9040534, 17
|
BDBM160077
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 18
- US10053463, 18
- US9040534, 18
|
BDBM160082
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 23
- US10053463, 23
- US9040534, 23
|
BDBM160087
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 28
- US10053463, 28
- US9040534, 28
|
BDBM160088
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 29
- US10053463, 29
- US9040534, 29
|
BDBM160089
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 30
- US10053463, 30
- US9040534, 30
|
BDBM160152
| 6 | 8 | 0 | 0 | 0 | 0 | 0 | 0 | - P2X purinoceptor 7
- P2X purinoceptor 7 (P2X7)
- P2X7 rat
| - US10047092, 93
- US10053463, 93
- US9040534, 93
|
BDBM162123
| 3 | 10 | 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
- X-linked inhibitor of apoptosis protein (XIAP)
- p53-Binding Protein HDMX
| |
BDBM163857
| 0 | 14 | 0 | 0 | 0 | 0 | 0 | 0 | - Renal Outer Medullary Potassium (ROMK)
| - US9062070, 2A
- US9062070, 2B
- US9062070, 2C
- US9062070, 2D
- US9062070, 2E
- US9062070, 2F
- US9062070, 2G
- US9062070, 2H
|
BDBM164076
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 206
- US9475819, 231
- US9637496, 231
- US9695183, 206
- US9695183, 231
|
BDBM164092
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 222
- US9475819, 226
- US9637496, 226
- US9695183, 222
- US9695183, 226
|
BDBM164093
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 223
- US9475819, 228
- US9637496, 228
- US9695183, 223
- US9695183, 228
|
BDBM164094
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Orexin receptor type 1 (OX1)
- Orexin receptor type 2
| - US9062078, 224
- US9475819, 227
- US9637496, 227
- US9695183, 224
- US9695183, 227
|
BDBM16512
| 0 | 11 | 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)
|
BDBM18245
| 0 | 12 | 0 | 2 | 0 | 0 | 0 | 0 | - Dihydrofolate Reductase (DHFR)
- Dihydrofolate reductase
- Dihydrofolate reductase (DHFR)
- Thymidylate Synthase (TS)
- Thymidylate synthase
| - (2S)-2-{[4-({2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl}sulfanyl)phenyl]formamido}pentanedioic acid
- N-{4-[(2,4-diamino-5-methyl-7H-pyrrolo[2,3-d]-pyrimidin-6-yl)sulfanyl]benzoyl}-L-glutamic acid
- Pyrrolo[2, 3-d]pyrimidine analogue, 1a
|
BDBM18353
| 3 | 10 | 0 | 1 | 0 | 0 | 0 | 0 | - Alpha-mannosidase 2C1
- Glucosylceramidase
- Lactase-glycosylceramidase
- Lysosomal alpha-glucosidase
- Maltase-glucoamylase
- Mannosidase 2 alpha 1
- Mannosidase 2, alpha B1
- Trehalase
- alpha-Glucosidase (α-Glucosidase)
- alpha-Glucosidase (alpha-Glu)
- alpha-glucosidase (Gaa)
| - (2R,3R,4R,5S)-2-(hydroxymethyl)-1-methylpiperidine-3,4,5-triol
- CHEMBL75971
- N-Methyl-DNJ
- US9181184, 2
|
BDBM18779
| 10 | 4 | 0 | 0 | 0 | 0 | 0 | 0 | - Beta-hexosaminidase subunit alpha (HexA)
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS)
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant KICB1
- Dihydrofolate Reductase-Thymidylate Synthase (DHFR-TS) Mutant SP21
| - 6-ethyl-5-(4-methylphenyl)pyrimidine-2,4-diamine
- CHEMBL21778
- P17
|
BDBM188519
| 0 | 7 | 6 | 1 | 0 | 0 | 0 | 0 | - BRD4/HDAC1
- Bromodomain-containing protein 4
- CREB-binding protein
- CREB-binding protein/Histone acetyltransferase p300
- CREB-binding protein/p53
- Histone acetyltransferase p300
| |
BDBM189434
| 14 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - Coagulation factor III/Factor VIIa (fVIIa)
- Coagulation factor IX
- Coagulation factor VII
- Coagulation factor X
- Coagulation factor XI
- Coagulation factor XII
- Kallikrein 1
- Plasma kallikrein
- Plasminogen
- Thrombin and coagulation factor X
- Tissue-type plasminogen activator
- Urokinase-type plasminogen activator/surface receptor
- Vitamin K-dependent protein C
| |
BDBM198226
| 0 | 14 | 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, 34
- US9556187, Example 210
|
BDBM20334
| 3 | 6 | 0 | 5 | 0 | 0 |