Compound Name
(alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
|---|
| Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
|---|
BDBM151585
 | 2 | 48 | 0 | 0 | 0 | 0 | 0 | 0 | - 25-hydroxyvitamin D-1 alpha hydroxylase, mitochondrial
- Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cytochrome CYP26A1
- Cytochrome P450 11B1, mitochondrial
- Cytochrome P450 11B2 (CYP11B2)
- Cytochrome P450 17A1
- Cytochrome P450 24A1
- Cytochrome P450 26B1
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 3A
- Cytochrome P450 3A5
- Cytochrome P450 3A5 (CYP3A5)
- Multidrug resistance-associated protein 4
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
- Solute carrier family 22 member 1
| - US8987315, Ketoconazole
- US9180183, Ketoconazole
- US9271963, Ketoconazole
- US9394290, KTZ (ketoconazole)
- US9963439, Ketoconazole
|
BDBM21724
 | 0 | 4 | 0 | 46 | 0 | 0 | 0 | 0 | - Bile acid receptor
- Bile acid receptor FXR
- Retinoic acid receptor RXR-alpha/Vitamin D3 receptor
| - 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
- 3-[(E)-2-(2-chloro-4-{[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazol-4-yl]methoxy}phenyl)ethenyl]benzoic acid
- CHEMBL318457
- GW-4064
|
BDBM357015
 | 0 | 50 | 0 | 0 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- Aurora kinase A/B
- Axin-1/Glycogen synthase kinase-3 beta
- CDK2/CycE
- Calmodulin/Proto-oncogene tyrosine-protein kinase Src
- Casein kinase I isoform alpha
- Casein kinase II subunit alpha
- Casein kinase II subunit alpha'
- Cyclin-Dependent Kinase 5 (CDK5)
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 5 activator 1, p25
- Cyclin-dependent kinase 5 regulatory subunit 1
- Cyclin-dependent-like kinase 5
- Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
- Inhibitor of nuclear factor kappa-B kinase subunit epsilon
- Insulin-like growth factor I receptor
- Interleukin-1 receptor-associated kinase 4
- Mitogen-activated protein kinase kinase kinase 8
- Non-receptor tyrosine-protein kinase TYK2
- Proto-oncogene tyrosine-protein kinase Src
- Serine/threonine-protein kinase Aurora-A
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase pim-1
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase receptor FLT3
- Voltage-gated potassium channel
| - US10214511, Example 19
- US10676460, Example 19
|
BDBM50007407
 | 45 | 2 | 1 | 2 | 0 | 0 | 0 | 0 | - 5-HT5
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 5A
- 5-hydroxytryptamine receptor 6
- 5-hydroxytryptamine receptor 7
- D(2) dopamine receptor
- HTR1D
- HTR6
- Neutrophil cytosol factor 1
- Serotonin (5-HT) receptor
- Serotonin 1 (5-HT1) receptor
- Serotonin 1B/1D receptor
- Serotonin 2 (5-HT2) receptor
- Serotonin 3a (5-HT3a)/3b (5-HT3b)/3c (5-HT3c)/3d (5-HT3d)/3e (5-HT3e) receptor
- Serotonin receptor 2a and 2b (5HT2A and 5HT2B)
- Sigma non-opioid intracellular receptor 1
| - 1-NP
- 1-Naphthalen-1-yl-piperazine
- 4-Naphthalen-1-yl-piperazin-1-ium
- CHEMBL277120
|
BDBM50012278
 | 11 | 36 | 1 | 2 | 0 | 0 | 0 | 0 | - Beta tubulin
- Bile salt export pump (BSEP)
- Cytochrome P450 3A
- Monoamine oxidase
- Multidrug resistance protein 1/Multidrug resistance associated protein 1
- Multidrug resistance-associated protein 2 (MRP2)
- P-glycoprotein (P-gp)
- P-glycoprotein 1
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
- Reverse transcriptase
- Similar to alpha-tubulin isoform 1
- Solute carrier organic anion transporter family member 1B1 (OATP1B1)
- Solute carrier organic anion transporter family member 1B3 (OATP1B3)
- Steroidogenic Factor 1
- Tubulin
- Tubulin beta chain
- nuclear receptor subfamily 0 group B member 1
| - (2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLASTINE
- CHEMBL159
- VINBLASTINE
- VINBLASTINE SULFATE
- cid_5388983
|
BDBM50022271
 | 14 | 28 | 0 | 8 | 0 | 0 | 0 | 0 | - Aldose reductase (AR)
- Carbonic anhydrase 1
- Carbonic anhydrase 2
- Caspase-1
- Caspase-3
- Caspase-4
- Caspase-5
- Caspase-9
- Cyclooxygenase
- Cyclooxygenase-1 (COX-1)
- Cytochrome P450 2J2
- Epidermal growth factor receptor
- GTP-binding protein (rab7)
- Glyoxalase 1 (GLO1)
- Intestinal fatty acid-binding protein (hIFABP)
- Prostaglandin E synthase/G/H synthase 2
- Prostaglandin G/H synthase (cyclooxygenase)
- Ras-related C3 botulinum toxin substrate 1
- Ras-related protein Rab-2A.
- Seed lipoxygenase-1
- Serum albumin
- Serum paraoxonase/arylesterase 1
- Solute carrier family 22 member 6
- Solute carrier family 22 member 8
- Solute carrier organic anion transporter family member 1A3
- cell division cycle 42 (GTP binding protein, 25kDa)
- ras protein
| - 2-(3-Benzoylphenyl)propionic acid
- 2-(3-benzoylphenyl)propanoic acid
- 3-Benzoyl-alpha-methylbenzeneacetic acid
- 3-Benzoylhydratropic acid
- CHEMBL571
- Dexketoprofen trometamol
- KETOPROFEN
- L'Acide (benzoyl-3-phenyl)-2-propionique
- Orudis (TN)
- m-Benzoylhydratropic acid
|
BDBM50022775
 | 3 | 47 | 0 | 0 | 0 | 0 | 0 | 0 | - Acetylcholinesterase
- Bile salt export pump
- Butyrylcholinesterase (BChE)
- Butyrylcholinesterase (BuChE)
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cholinesterases
- Multidrug resistance-associated protein 4
| - (m-Hydroxyphenyl)trimethylammonium dimethylcarbamate
- 3-Trimethylammoniumphenyl N,N-dimethylcarbamate
- 3-[(dimethylcarbamoyl)oxy]-N,N,N-trimethylanilinium
- CHEMBL211471
- CHEMBL278020
- Eustigmin
- Eustigmine
- NEOSTIGMINE
- Neostigmine (2)
- Prostigmine
- Vagostigmine
- m-Trimethylammoniumphenyldimethylcarbamate
|
BDBM50022787
 | 10 | 40 | 0 | 0 | 0 | 0 | 0 | 0 | - Beta-lactamase (TEM-1)
- Bile salt export pump
- Oligopeptide transporter small intestine isoform
- Oligopeptide transporter, kidney isoform
- Organic anion-transporting polypeptide 1D1 (Oatp1d1)
- Penicillin binding protein 2'
- Penicillin-binding protein 1A
- Penicillin-binding protein 2B
- Penicillin-binding protein 2x
- Solute carrier family 15 member 2
- Solute carrier family 22 member 6
- Solute carrier family 22 member 8
| - (+)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)
- (2S,5R,6R)-3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- (2S,5R,6R)-3,3-dimethyl-7-oxo-6-(2-phenylacetamido)-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid anion (Penicillin G)
- 3,3-Dimethyl-7-oxo-6-phenylacetylamino-4-thia-1-aza-bicyclo[3.2.0]heptane-2-carboxylic acid(penicillin G)
- BICILLIN
- PENICILLIN G
- PENICILLIN G PROCAINE
- PENICILLIN-2
- PERMAPEN
- PFIZERPEN
- PFIZERPEN-AS
- benzylpenicillin
|
BDBM50059841
 | 18 | 30 | 0 | 2 | 0 | 0 | 0 | 0 | - Delta-type opioid receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Neurokinin 1 receptor
- Nociceptin receptor
- Opioid receptors; mu & delta
- Opioid receptors; mu/kappa/delta
| - (S)-1-[(S)-2-[2-((S)-2-{(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid ((S)-1-carbamoyl-2-hydroxy-ethyl)-amide
- (S)-2-Amino-N-{(R)-1-[(S)-1-((S)-1-carbamoyl-2-phenyl-ethylcarbamoyl)-2-phenyl-ethylcarbamoyl]-ethyl}-3-(4-hydroxy-phenyl)-propionamide
- 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide
- 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide (Dermorphin)
- 1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide(Dermorphin)
- CHEMBL278789
- DERMORPHIN
- Dermorphin;1-[2-[2-(2-{2-[2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-3-phenyl-propionylamino)-acetylamino]-3-(4-hydroxy-phenyl)-propionyl]-pyrrolidine-2-carboxylic acid (1-carbamoyl-2-hydroxy-ethyl)-amide
- H-Tyr-D-Ala-Phe-Gly-Tyr-Pro-Ser-NH2
- Tyr-Ala-Phe-Gly-Tyr-Pro-Ser
- YAFGYPS-NH2
|
BDBM50105327
 | 27 | 21 | 2 | 0 | 0 | 0 | 0 | 0 | - Cereblon/Histone deacetylase 1
- Cereblon/Histone deacetylase 2
- Cereblon/Histone deacetylase 4
- Cereblon/Histone deacetylase 6
- Histone deacetylase 1
- Histone deacetylase 10
- Histone deacetylase 11
- Histone deacetylase 2
- Histone deacetylase 3
- Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2)
- Histone deacetylase 4
- Histone deacetylase 5
- Histone deacetylase 7
- Histone deacetylase 8
- Histone deacetylase 9
- Leukotriene A4 hydrolase
- NAD-dependent deacetylase sirtuin 1
- NAD-dependent deacetylase sirtuin 2
- NAD-dependent deacetylase sirtuin 3
- NAD-dependent protein deacetylase sirtuin-7 (SIRT7)
| - JNJ-26481585
- QUISINOSTAT
- Quisinostat
|
BDBM50123803
 | 0 | 50 | 0 | 0 | 0 | 0 | 0 | 0 | - 5'-AMP-activated protein kinase catalytic subunit alpha-1
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Axin-1/Glycogen synthase kinase-3 beta
- BDNF/NT-3 growth factors receptor
- CaM kinase IV
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 7
- Cytoplasmic tyrosine-protein kinase BMX
- Dual specificity mitogen-activated protein kinase kinase 1
- Ephrin type-B receptor 2
- Epidermal growth factor receptor
- Fibroblast growth factor receptor 2
- Hepatocyte growth factor receptor
- Insulin-like growth factor I receptor
- Macrophage colony stimulating factor receptor
- Mast/stem cell growth factor receptor Kit
- Mitogen-activated protein kinase 10
- Mitogen-activated protein kinase kinase kinase 9
- Myotonin-protein kinase
- PAK 1/CDC42
- Platelet-derived growth factor receptor alpha
- Platelet-derived growth factor receptor beta
- Polycystin-2
- Proto-oncogene tyrosine-protein kinase receptor Ret
- RAF proto-oncogene serine/threonine-protein kinase
- Receptor protein-tyrosine kinase erbB-4
- Receptor tyrosine-protein kinase erbB-2
- Ribosomal protein S6 kinase alpha 1
- Serine/threonine-protein kinase Chk1/2
- Serine/threonine-protein kinase D1
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase pim-1
- Serine/threonine-protein kinase/endoribonuclease IRE1 Alpha
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase ABL2
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase Fes/Fps
- Tyrosine-protein kinase Fyn
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase receptor FLT3
- Tyrosine-protein kinase receptor UFO
- Vascular endothelial growth factor receptor 1
- Vascular endothelial growth factor receptor 2
- Vascular endothelial growth factor receptor 3
- p21-Activated kinase 2 (PAK2)
| |
BDBM50135800
 | 30 | 8 | 0 | 12 | 0 | 0 | 0 | 0 | - Delta-type opioid receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
| - (-)-3-Hydroxy-N-cycloproypylmethylmorphinan Mandelate
- 17-cyclopropylmethyl-(1R,9R,10R)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
- 3-Hydroxy-N-cyclopropylmethylmorphinan
- CHEMBL49269
- CYCLORPHAN
- US10231963, Table B.6
- US10736890, Compound TABLE B.6
- US9656961, Example 00123
|
BDBM50157881
 | 0 | 50 | 0 | 0 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- 3-phosphoinositide dependent protein kinase-1
- ALK tyrosine kinase receptor
- Aurora kinase A/Targeting protein for Xklp2
- Cyclin-Dependent Kinase 4 (CDK4)
- Cyclin-dependent kinase 2
- Ephrin receptor
- Ephrin type-B receptor 4
- Epidermal growth factor receptor
- Fibroblast growth factor receptor 4
- Hepatocyte growth factor receptor
- Insulin receptor
- Insulin-like growth factor I receptor
- MAP kinase-activated protein kinase 2
- MAP kinase-activated protein kinase 5
- Mast/stem cell growth factor receptor Kit
- Mitogen-activated protein kinase 1
- Mitogen-activated protein kinase 14
- Mitogen-activated protein kinase kinase kinase 8
- Non-receptor tyrosine-protein kinase TYK2
- Phosphatidylinositol 3-kinase catalytic subunit type 3
- 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
- Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
- Phosphatidylinositol 4-kinase beta
- Platelet-derived growth factor receptor alpha
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Receptor tyrosine-protein kinase erbB-2
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase SYK
- Vascular endothelial growth factor receptor 2
- cAMP-dependent protein kinase (PKA)
| |
BDBM50347750
 | 0 | 38 | 12 | 0 | 0 | 0 | 0 | 0 | - Axin-1/Glycogen synthase kinase-3 beta
- CDC2-like kinase 3 (CLK3)
- Cyclin-Dependent Kinase 2 (CDK2)
- Cyclin-Dependent Kinase 5 (CDK5)
- Cyclin-Dependent Kinase 7 (CDK7)
- Cyclin-Dependent Kinase 9 (CDK9)
- Dual specificity protein kinase CLK1
- Dual specificity protein kinase CLK1/CLK4
- Dual specificity protein kinase CLK2
- Dual specificity protein kinase CLK3
- Dual specificity protein kinase CLK4
- Dual specificity tyrosine-phosphorylation-regulated kinase 4
- Dual specificty protein kinase CLK1
- Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
- Dual-specificity tyrosine-phosphorylation regulated kinase 1A
- Dual-specificity tyrosine-phosphorylation regulated kinase 2
- Dual-specificity tyrosine-phosphorylation regulated kinase 3
- Dual-specificity tyrosine-regulated kinases 1B
- ERK-2
- Glycogen synthase kinase-3
- Homeodomain-interacting protein kinase 1
- Homeodomain-interacting protein kinase 3
- Interleukin-1 receptor-associated kinase 1
- Serine/threonine-protein kinase TAO1
- Serine/threonine-protein kinase pim-1
| |
BDBM50364776
 | 7 | 41 | 0 | 2 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- Potassium voltage-gated channel subfamily H member 2
- Serine/threonine-protein kinase haspin
- Serine/threonine-protein kinase pim-1
- Serine/threonine-protein kinase pim-2
- Serine/threonine-protein kinase pim-3
- Tyrosine-protein kinase Yes
- Tyrosine-protein kinase receptor FLT3
| - CHEMBL1952141
- CHEMBL1952329
|
BDBM50380140
 | 0 | 0 | 38 | 0 | 6 | 6 | 0 | 0 | - Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 12
- Carbonic anhydrase 13 (CA XIII)
- Carbonic anhydrase 2
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Carbonic anhydrases; II & IX
| - CHEMBL2011155
- carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 10
|
BDBM5718
 | 0 | 49 | 0 | 1 | 0 | 0 | 0 | 0 | - CDK2/CycE
- CDK2/Cyclin A/Cyclin A1
- CDK2/Cyclin E/G1/S-specific cyclin E2
- CDK6/CycD3
- Cyclin B/Cyclin-Dependent Kinase 1 (CDK1)/G2/mitotic-specific cyclin B2/G2/mitotic-specific cyclin B3
- Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 2 (CDK2)
- Cyclin-Dependent Kinase 4 (CDK4)
- Cyclin-Dependent Kinase 5 (CDK5)
- Cyclin-dependent kinase 1
- Cyclin-dependent kinase 2
- Cyclin-dependent kinase 4
- Cyclin-dependent-like kinase 5
- ERK-2
- Mitogen-activated protein kinase 1
- Mitogen-activated protein kinase 14
- Mitogen-activated protein kinase 3
- Protein kinase Pfmrk
- Voltage-gated calcium channel subunit alpha Cav2.2
- cAMP-dependent protein kinase (PKA)
| - 2,6,9-Trisubstituted purine deriv. 26
- 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethan-1-ol
- 2-{[6-(benzylamino)-9-methyl-9H-purin-2-yl]amino}ethanol
- 6-(benzylamino)-2-[(2-hydroxyethyl)amino]-9-methylpurine
- CHEMBL280074
- Olomoucine
- purine deriv. 5
|
BDBM82467
 | 50 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - SSTR2
- SSTR3
- SSTR5
- Somatostatin receptor type 1
- Somatostatin receptor type 2
- Somatostatin receptor type 3
- Somatostatin receptor type 4
- Somatostatin receptor type 5
| - 2-Deamino-L-Abu(1)-L-Lys-L-Asp(NH2)-L-Phe-L-Phe-L-Trp-L-Lys-L-Thr-L-Tyr-L-Thr-L-Ser-L-Abu(1)-OH
- CGP 23996
- CGP-23996
|
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