Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
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BDBM17660
| 38 | 2 | 0 | 20 | 0 | 0 | 0 | 0 | - Cystine/glutamate transporter
- GRIA3
- GRIK4
- GRM7
- Glutamate Carboxypeptidase II (GCPII)
- Glutamate kainate
- Glutamate receptor ionotropic, kainate
- Ionotropic glutamate receptor NMDA 1/2D
- Ionotropic glutamate receptor kainate 2/5
- Metabotropic Glutamate 1a
- Metabotropic glutamate receptor
- Metabotropic glutamate receptor 1
- Metabotropic glutamate receptor 2
- Metabotropic glutamate receptor 3
- Metabotropic glutamate receptor 3 (mGlu3)
- Metabotropic glutamate receptor 4 (mGlu4)
- Metabotropic glutamate receptor 4 (mGluR4)
- Metabotropic glutamate receptor 5
- Metabotropic glutamate receptor 6
- Metabotropic glutamate receptor 6 (mGlu6)
- Metabotropic glutamate receptor 7 (mGlu7)
- Metabotropic glutamate receptor 8
- metabotropic glutamate 5a
| - (2S)-2-amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
- 2-amino-3-(3,5-dioxo[1,2,4]oxadiazolidin-2-yl)propionic acid
- CHEMBL279956
- Quisqualate
- Quisqualate, L
- quisqualic acid
|
BDBM18771
| 14 | 46 | 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)
- Thymidylate synthase (TS)
- Thymidylate synthase/GAR transformylase/AICAR transformylase
| - (2S)-2-[(4-{[(2-amino-4-oxo-1,4-dihydroquinazolin-6-yl)methyl](prop-2-yn-1-yl)amino}phenyl)formamido]pentanedioic acid
- CB3717
- CHEMBL389051
- PDDF
|
BDBM22417
| 37 | 22 | 1 | 0 | 0 | 0 | 0 | 0 | - Alpha-1A adrenergic receptor
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine Transporter (DAT)
- Monoamine transporters; serotonin & dopamine
- Muscarinic acetylcholine receptor M2
- Norepinephrine Monoamine transporters
- Norepinephrine transporter
- Serotonin (5-HT) receptor
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Transporter
| - 3-(2-methoxyphenoxy)-N-methyl-3-phenylpropan-1-amine
- CHEMBL295467
- LY 135252
- LY 94939
- LY135252
- LY139602
- Nisoxetine
- Nisoxetine Inhibitor
- [3-(2-methoxyphenoxy)-3-phenylpropyl](methyl)amine
- [3H]NISOXETINE
- [3H]Nisoxetine
- nisoxetine
|
BDBM50028091
| 53 | 7 | 0 | 0 | 0 | 0 | 0 | 0 | - ADRB2
- Alpha-1A adrenergic receptor
- Cytochrome P450 1A2
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- DOPAMINE
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine Transporter (DAT)
- HTR2C
- Histamine H1 receptor
- Monoamine transporters; serotonin & dopamine
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Norepinephrine Monoamine transporters
- Norepinephrine transporter
- Potassium voltage-gated channel subfamily H member 2
- Serotonin (5-HT) receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sigma non-opioid intracellular receptor 1
- Sodium channel protein type 5 subunit alpha
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Voltage-dependent L-type calcium channel subunit alpha-1C
- adrenergic Alpha2
| - (1E)-5-methoxy-1-[4-(trifluoromethyl)phenyl]pentan-1-one O-(2-aminoethyl)oxime
- CHEMBL814
- FLUVOXAMINE
|
BDBM50070942
| 6 | 51 | 1 | 2 | 0 | 0 | 0 | 0 | - 3-oxoacyl-(Acyl-carrier protein) reductase
- 3-oxoacyl-acyl-carrier protein reductase
- 6-phosphogluconate dehydrogenase (6PGD)
- ADAM17
- Alpha-(1,3)-fucosyltransferase IV
- Alpha-(1,3)-fucosyltransferase VII
- Alpha-(2,3)-(N)-sialyltransferase
- Beta amyloid A4 protein
- Beta-secretase 1
- Bile salt export pump (BSEP)
- CREB-binding protein
- Collagenase
- DNA (cytosine-5)-methyltransferase 1 (DNMT1)
- Dual-specificity tyrosine-(Y)-phosphorylation regulated kinase 1A
- Dual-specificity tyrosine-phosphorylation regulated kinase 1A
- Enoyl-ACP Reductase (FabI)
- Enoyl-acyl-carrier protein reductase
- Fatty acid synthase
- Glucose-6-phosphate 1-dehydrogenase
- HSP90 and hnRNPA2/B1
- Hepatocyte growth factor receptor
- Histone acetyltransferase KAT5
- Histone acetyltransferase PCAF
- Histone acetyltransferase p300
- Human immunodeficiency virus type 1 reverse transcriptase
- Leukocyte elastase
- M.SssI methyltransferase
- Matrix metalloproteinase-14 (MMP14)
- Matrix metalloproteinase-7 (MMP7)
- Mitogen-activated protein kinase 14
- P-glycoprotein 1
- POsterior Segregation family member (pos-1)
- Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
- Plasminogen activator inhibitor-1
- RecName: Full=Zinc finger protein mex-5
- Squalene monooxygenase
- Tau
- Telomerase reverse transcriptase
- Transcription Factor STAT1
- alpha-Amylase
| - (-)-Epigallocatechin gallate
- (-)-Epigallocatechin-3-o-gallate
- (-)-epigallocatechin 3-gallate
- (2R,3R)-5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
- CHEMBL297453
- EGCG
- Epigallocatechin 3-gallate
- Epigallocatechin monogallate, B
- cid_65064
|
BDBM50118810
| 49 | 6 | 0 | 5 | 0 | 0 | 0 | 0 | - Adenosine A1 receptor
- Adenosine A2 receptor
- Adenosine A2a receptor
- Adenosine Receptors A2a (A2a)
- Adenosine receptor
- Adenosine receptor A1
- Adenosine receptor A2
- Adenosine receptor A2a and A3
- Adenosine receptor A2b
- Adenosine receptor A3
| - (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-((R)-1-phenylpropan-2-ylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol
- 2-Hydroxymethyl-5-[6-(1-methyl-2-phenyl-ethylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
- CHEMBL139000
- N6-[(R)-1-Methyl-2-phenylethyl]ado (R-PIA)
- R-N6-(phenylisopropyl)adenosine
|
BDBM50122872
| 60 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-Hydroxytryptamine receptor 6 (5-HT6)
- 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 3A
- 5-hydroxytryptamine receptor 4 (5-HT4)
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- BDKRB2
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Beta-3 adrenergic receptor
- CCKBR
- Calcium channel
- Cholecystokinin receptor
- Cholinergic, muscarinic
- Cysteinyl leukotriene receptor 1
- D(2) dopamine receptor
- D(3) dopamine receptor
- DOPAMINE
- Delta-type opioid receptor
- Dopamine Transporter (DAT)
- Dopamine receptors; D2 & D4
- GRIA3
- Glycine transporter 2
- Glycine-1-transporter
- Histamine H1 receptor
- Ionotropic glutamate receptor NMDA 1/2D
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M2
- NT
- Neuromedin-K receptor
- Norepinephrine transporter
- Prostanoid TP receptor
- Serotonin (5-HT) receptor
- Serotonin receptor (2b and 2c)
- Sigma-1
- Substance-K receptor
- Substance-P receptor
- VIPR1
- Voltage-gated sodium channel subunit alpha Nav1.8
| - 4-Amino-5-chloro-2,3-dihydro-benzofuran-7-carboxylic acid [1-(3-methoxy-propyl)-piperidin-4-yl]-amide
- CHEMBL117287
- PRUCALOPRIDE
- US9663465, prucalopride
|
BDBM50163858
| 0 | 0 | 36 | 0 | 12 | 12 | 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
| - CHEMBL2443188
- carbonic anhydrase (CA) inhibitors, benzenesulphonamide ligand, 7
|
BDBM50200182
| 12 | 11 | 3 | 34 | 0 | 0 | 0 | 0 | - Androgen Receptor
- Vitamin D receptor
- Vitamin D-binding protein
- Vitamin D3 receptor
| - (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
- (1S,3R,5Z,7E)-9,10-secocholesta-5,7,10-triene-1,3,25-triol
- (1alpha,3beta,5Z,7E)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
- (5Z,7E)-(1S,3R)-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol
- 1,25-DHCC
- 1alpha,25(OH)2D3
- 1alpha,25-dihydroxycholecalciferol
- 1alpha,25-dihydroxyvitamin D3
- CALCITRIOL
- CHEMBL846
|
BDBM50235820
| 0 | 59 | 0 | 1 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Activin receptor type-1
- Aurora kinase A
- Aurora kinase B
- Axin-1/Glycogen synthase kinase-3 beta
- CAMK2A
- CDK7/Cyclin H/MNAT1
- CaM kinase I delta
- Casein kinase I isoform alpha
- Cyclin-dependent kinase 8
- Cyclin-dependent kinase 9
- Death-associated protein kinase 3
- Dual specificity mitogen-activated protein kinase kinase 1/Mitogen-activated protein kinase 1/RAF proto-oncogene serine/threonine-protein kinase
- Dual specificity mitogen-activated protein kinase kinase; MEK1/2
- Dual specificity protein kinase CLK2
- Dual specificity tyrosine-phosphorylation-regulated kinase 1B
- Dual-specificity tyrosine-phosphorylation regulated kinase 1A
- Fibroblast growth factor receptor 1
- Focal adhesion kinase 1
- G protein-coupled receptor kinase 5
- Glycogen synthase kinase-3
- Hepatocyte growth factor receptor
- Hepatocyte growth factor-like protein
- High affinity nerve growth factor receptor
- Inhibitor of nuclear factor kappa-B kinase subunit epsilon
- Insulin-like growth factor I receptor
- JNK2/JNK3
- Leukocyte tyrosine kinase receptor
- Macrophage colony-stimulating factor 1 receptor
- Mitogen-activated protein kinase 2
- Mitogen-activated protein kinase kinase kinase kinase 4
- Neurotrophic tyrosine kinase receptor
- Platelet-derived growth factor receptor
- Platelet-derived growth factor receptor beta
- Protein kinase C theta type
- Protein kinase C, PKC; classical/novel
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Rho-associated protein kinase 1
- Ribosomal protein S6 kinase alpha-1/alpha-3
- SRC
- Serine/threonine-protein kinase NEK2
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase TAO2
- Serine/threonine-protein kinase TBK1
- Serine/threonine-protein kinase WEE1
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase receptor TYRO3
- Vascular endothelial growth factor receptor 1
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
- c-Jun N-terminal kinase, JNK
| |
BDBM50343559
| 0 | 60 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Activator of S phase kinase DBF4/Cell division cycle 7-related protein kinase
- Aurora kinase A
- Aurora kinase B
- CDK2/CycE
- CDK2/Cyclin A/Cyclin A1
- Cyclin-Dependent Kinase 1 (CDK1)
- Cyclin-Dependent Kinase 4 (CDK4)
- Cyclin-Dependent Kinase 5 (CDK5)
- Dual specificity protein kinase TTK
- Ephrin receptor
- Eukaryotic elongation factor 2 kinase
- Fibroblast growth factor receptor 1
- Focal adhesion kinase 1
- Focal adhesion kinase 1/vascular endothelial growth factor receptor 3
- Glycogen synthase kinase-3 beta
- Hepatocyte growth factor receptor
- High affinity immunoglobulin gamma Fc receptor I
- High affinity nerve growth factor receptor
- Inhibitor of NF-kappa-B kinase (IKK)
- Insulin receptor
- MAP kinase-activated protein kinase 2
- MAP kinase-interacting serine/threonine-protein kinase 2
- Mast/stem cell growth factor receptor Kit
- Maternal embryonic leucine zipper kinase (MELK)
- Mitogen-activated protein kinase 1
- Mitogen-activated protein kinase 14
- Mitotic checkpoint serine/threonine-protein kinase BUB1
- Non-receptor tyrosine-protein kinase TYK2
- PKC alpha and beta-2
- Pancreatic endoplasmic reticulum kinase (PERK)
- Proto-oncogene tyrosine-protein kinase ROS
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Pyruvate dehydrogenase kinase isoenzyme 1 (PDK1)
- RAC-alpha serine/threonine-protein kinase AKT1
- Serine/threonine-protein kinase Chk1
- Serine/threonine-protein kinase MST4
- Serine/threonine-protein kinase NEK6
- Serine/threonine-protein kinase NIM1
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase PLK1
- Serine/threonine-protein kinase PLK2
- Serine/threonine-protein kinase PLK3
- Serine/threonine-protein kinase haspin
- Serine/threonine-protein kinase pim-2
- Serine/threonine-protein kinase tousled-like 2
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BRK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase Lck
- Tyrosine-protein kinase Lyn
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase ZAP-70
- Tyrosine-protein kinase receptor FLT3
- Vascular endothelial growth factor receptor 2 and tyrosine-protein kinase TIE-2 (KDR and TIE2)
- cAMP-dependent protein kinase (PKA)
| - 1-(2-HYDROXYETHYL)-8-[[5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL]AMINO]-4,5-DIHYDROPYRIMIDO[5,4-G]INDAZOLE-3-CARBOXAMIDE
- 1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenylamino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide
- CHEMBL1738758
|
BDBM82460
| 60 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - SSTR2
- SSTR3
- SSTR4
- SSTR5
- Somatostatin receptor type 1
- Somatostatin receptor type 2
- Somatostatin receptor type 3
- Somatostatin receptor type 4
- Somatostatin receptor type 5
| - L-Ser-L-Ala-L-Asn-L-Ser-L-Asn-L-Pro-L-Ala-L-Met-L-Ala-L-Pro-L-Arg-L-Glu-L-Arg-L-Lys-L-Ala-Gly-L-Cys(1)-L-Lys-L-Asn-L-Phe-L-Phe-L-Trp-L-Lys-L-Thr-L-Phe-L-Thr-L-Ser-L-Cys(1)-OH
- somatostatin-28
|
BDBM9460
| 11 | 48 | 0 | 1 | 0 | 0 | 0 | 0 | - Aromatase (CYP19)
- Bile salt export pump
- Cytochrome P450 11A1
- Cytochrome P450 11A1 (CYP11A1)
- Cytochrome P450 11B2
- Cytochrome P450 17A1
- Cytochrome P450 19A1
| - 3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione
- 3-(4-aminophenyl)-3-ethylpiperidine-2,6-dione
- Aminoglutethimide AG, 4
- CHEMBL488
- Cytadren
- Elipten
- aminoglutethimide (AG)
|