Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM21447
 | 30 | 27 | 5 | 3 | 0 | 0 | 0 | 0 | - Apoptosis regulator Bcl-2
- Apoptosis regulator Bcl-2/Bcl-2 homologous antagonist/killer
- Apoptosis regulator Bcl-B (Bcl-2-like 10 protein) (Bcl2-L-10) (Anti-apoptotic protein NrH).
- Apoptosis regulator Bcl-XL
- BCL-W
- Bcl-2 homologous antagonist/killer
- Bcl-2-like protein 1
- Bcl-2-related protein A1
- Bcl-xL/Bcl-2-binding component 3
- Bcl2-antagonist of cell death (BAD)
- Casein Kinase II
- Induced myeloid leukemia cell differentiation protein Mcl-1
- Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
- Isoform Bcl-X(L)
| - 4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1-yl)-N-[(4-{[(2R)-4-(dimethylamino)-1-(phenylsulfanyl)butan-2-yl]amino}-3-nitrobenzene)sulfonyl]benzamide
- ABT-737
- CHEMBL376408
- N-Benylpiperazine derivative, 2
- US9125913, ABT-737
|
BDBM24226
 | 19 | 39 | 3 | 4 | 0 | 0 | 0 | 0 | - 1,3-beta-glucan synthase component GLS2
- 3C-like proteinase
- 3C-like proteinase (3CL-PRO)
- Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C8
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
- Glycine receptor subunit alpha-1
- HLA class I histocompatibility antigen A-3
- Heparanase
- Histamine H1 receptor
- Histamine H4 receptor
- Melanin-concentrating hormone receptor 2/HERG
- Multidrug and toxin extrusion protein 1
- Multidrug resistance-associated protein 4
- P-glycoprotein (P-gp)
- P-glycoprotein 1
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
- Polycomb protein EED (EED)
- Potassium voltage-gated channel subfamily H member 2
- Protein Farnesyltransferase (PFT)
- Sigma intracellular receptor 2
- Sigma non-opioid intracellular receptor 1
- Somatostatin receptor type 2
- Somatostatin receptor type 3
- Somatostatin receptor type 4
- Somatostatin receptor type 5
- Voltage-gated L-type calcium channel
- ubiquitin-conjugating enzyme E2 N
| - 1-[(4-fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl}-1H-1,3-benzodiazol-2-amine
- ASTEMIZOLE
- Astemizole, [O-Methyl-3H]
- CHEMBL296419
- Hismanal
- Histaminos
- [3H]-ASTEMIZOLE
- [3H]Astemizole
- cid_2247
- med.21724, Compound Astemizole
|
BDBM25901
 | 17 | 6 | 42 | 0 | 0 | 0 | 0 | 0 | - Bile salt export pump
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Carbonic Anhydrase III
- Carbonic Anhydrase VA
- Carbonic Anhydrase VB
- Carbonic Anhydrase XIII
- Carbonic Anhydrase XIV
- Carbonic anhydrase
- Carbonic anhydrase 1
- Carbonic anhydrase 12
- Carbonic anhydrase 13 (CA XIII)
- Carbonic anhydrase 2
- Carbonic anhydrase 4
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 7
- Carbonic anhydrase 9
- Carbonic anhydrase V
- Carbonic anhydrases; II & IX
- Multidrug resistance-associated protein 4
| - 4-chloro-N-(2-methyl-2,3-dihydro-1H-indol-1-yl)-3-sulfamoylbenzamide
- Indaflex
- Indapamide
- Indapamide (2)
- Lozol
- Noranat
|
BDBM26948
 | 56 | 5 | 0 | 4 | 0 | 0 | 0 | 0 | - 15-Lipoxygenase (LoxA)
- 3C-like proteinase
- 3C-like proteinase (3CL-PRO)
- 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 1D
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 6
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Alpha-2C adrenergic receptor
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- CCKBR
- Calcium channel
- Cholecystokinin B
- Cholinergic, muscarinic
- Cysteinyl leukotriene receptor 1
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- DNA damage-inducible transcript 3 protein
- DRD1
- Delta-type opioid receptor
- Gamma-aminobutyric acid receptor subunit alpha-1
- Glycine receptor subunit alpha-1
- HTR2C
- Histamine H1 receptor
- Kappa-type opioid receptor
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M2
- NT
- Nociceptin receptor
- Norepinephrine transporter
- Potassium voltage-gated channel subfamily H member 2
- Prostanoid TP receptor
- Serotonin (5-HT) receptor
- Serotonin 1B/1D receptor
- Sigma non-opioid intracellular receptor 1
- Sodium-dependent dopamine transporter
- Sodium-dependent serotonin transporter
- Substance P
- Twik-RElated Potassium (K+) channel 1 (TREK1)
- Voltage-gated sodium channel subunit alpha Nav1.8
- XBP1
- adrenergic Alpha2
| - 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
- CHEMBL46516
- FLUSPIRILENE
- NCGC00015424
- cid_3396
- med.21724, Compound Fluspirilene
- spiropiperidine analogue, 1
|
BDBM50004822
 | 46 | 5 | 2 | 12 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- Adenylate cyclase
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- DRD1
- DRD2
- Dopamine D1 receptor
- Dopamine D1B
- Dopamine receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
| - (R)-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
- (R)-7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
- 1-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol(SKF38393)
- 7,8-Dihydroxy-1-phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepinium(R(+)SKF38393)
- CHEMBL1467585
- CHEMBL24077
- R(+)SKF 383931-Phenyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine-7,8-diol
- SK&F-383933
- SK-38393
- SK-383933
- SKF 38393
- SKF 38393 (+)
|
BDBM50009001
 | 5 | 57 | 0 | 3 | 0 | 0 | 0 | 0 | - 1-deoxy-D-xylulose 5-phosphate reductoisomerase
- 12-Lipoxygenase (12-LOX)
- 15-Lipoxygenase-2 (15-LOX-2)
- 17-beta-hydroxysteroid dehydrogenase type 3
- 5-hydroxytryptamine receptor 7
- Arachidonate 12-lipoxygenase
- Arachidonate 15-lipoxygenase
- Arachidonate 15-lipoxygenase, type II
- Arachidonate 5-lipoxygenase
- Aurora kinase B
- Casein kinase II subunit alpha 3
- Cyclin-dependent kinase 1
- Cyclooxygenase
- Cytochrome P450 1A1
- Cytochrome P450 1B1
- Cytochrome P450 3A
- Death-associated protein kinase 1
- Dipeptidyl peptidase 4
- Fructose-1,6-bisphosphatase
- G protein-coupled receptor kinase 6
- G-protein coupled receptor 35
- Gamma-amino-N-butyrate transaminase
- Glyoxalase 1 (GLO1)
- Histone Lysine Demethylase
- Human immunodeficiency virus type 1 integrase
- Lipoxygenase
- Lipoxygenase-1
- Lysine-specific histone demethylase 1A
- Lysosomal alpha-glucosidase
- P-glycoprotein 1
- Prolyl endopeptidase
- Prostaglandin G/H synthase (cyclooxygenase)
- Receptor-type tyrosine-protein phosphatase S
- Replicase polyprotein 1ab
- Sialidase 2
- Sucrase-isomaltase
- Trypsin
- Tyrosine-protein kinase receptor FLT3
- Urease subunit beta
- Uridine-5'-diphosphoglucuronosyltransferase 1A1
- VHL/Tyrosine-protein kinase Yes
- Xanthine dehydrogenase
- Xanthine dehydrogenase/oxidase
- alpha-Glucosidase (α-Glucosidase)
| - 5,6,7-Trihydroxyflavone
- 5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one
- Baicalein
- Baicalein, 14
- Baicalein, 8
- CHEMBL8260
- US10252984, Table 2.33
|
BDBM50026756
 | 65 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - GABA A Alpha2Beta1Gamma2
- GABA A Alpha4Beta2Gamma2
- GABA A receptor alpha-3/beta-2/gamma-2
- GABA A receptor alpha-5/beta-3/gamma-2
- GABA A receptor alpha-6/beta-2/gamma-2
- GABA receptor alpha-1/beta-2/gamma-2 subunit
- GABA receptor alpha-1/beta-3/gamma-2 subunit
- GABA receptor alpha-2/beta-3/gamma-2 subunit
- GABA receptor alpha-3/beta-2/gamma-2 subunit
- GABA receptor alpha-3/beta-3/gamma-2 subunit
- GABA receptor alpha-5/beta-3/gamma-2 subunit
- GABA receptor alpha-6/beta-2/gamma-2 subunit
- GABA receptor alpha-6/beta-3/gamma-2 subunit
- Gamma-aminobutyric acid receptor subunit alpha-1
- Gamma-aminobutyric acid receptor subunit alpha-5 (GABA(A))
- Gamma-aminobutyric acid type B receptor subunit 1
| - 3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
- CHEMBL13662
- CI-218872
- CL 218872
- CL218,872
- v3-Methyl-6-(3-trifluoromethyl-phenyl)-[1,2,4]triazolo[4,3-b]pyridazine
|
BDBM50026957
 | 62 | 3 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-HT3A Serotonin Receptor
- 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 2A
- Adrenergic Alpha
- D(1A) dopamine receptor
- D(1B) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- D(4) dopamine receptor
- DRD1
- DRD2
- Dopamine D1 receptor
- Dopamine D1B
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sigma non-opioid intracellular receptor 1
- adrenergic Alpha2
| - (cis) 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol(Flupentixol)
- (trans-flupenthixol)2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
- 2-(4-{3-[2-Trifluoromethyl-thioxanthen-(9E)-ylidene]-propyl}-piperazin-1-yl)-ethanol
- 2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
- FLUPENTHIXOL, Alpha
- FLUPENTHIXOL2-{4-[3-(2-Trifluoromethyl-thioxanthen-9-ylidene)-propyl]-piperazin-1-yl}-ethanol
- Flupenthixol
- Flupenthixol, Beta
|
BDBM50048466
 | 63 | 1 | 1 | 0 | 0 | 0 | 0 | 0 | - Adenosine A1 receptor
- Adenosine Receptors A2a (A2a)
- Adenosine receptor A1
- Adenosine receptor A2a
- Adenosine receptor A2b
- Adenosine receptor A3
| - 2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-amine
- 2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine
- 2-Furan-2-yl-7-phenethyl-7H-pyrazolo[4,3-e][1,2,4]triazolo[1,5-c]pyrimidin-5-ylamine(SCH 58261)
- CHEMBL17127
- SCH-58261
- SCH58261
|
BDBM50176050
 | 56 | 9 | 0 | 0 | 0 | 0 | 0 | 0 | - Adenosine Receptors A2a (A2a)
- Adenosine receptor
- Adenosine receptor A1
- Adenosine receptor A2a
- Adenosine receptor A2a and A3
- Adenosine receptor A2b
- Adenosine receptor A3
- Adenosine receptors; A2a & A2b
- Amine oxidase [flavin-containing] B
- Cytochrome P450 1A
- Cytochrome P450 2C19
- Cytochrome P450 2C9
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
| - 8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-purine-2,6(3H,7H)-dione
- 8-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,7-dihydro-purine-2,6-dione
- 8-[2-(3,4-dimethoxy-phenyl)-vinyl]-1,3-diethyl-7-methyl-3,9-dihydro-purine-2,6-dione
- CHEMBL431770
- istradefylline
|
BDBM50180022
 | 52 | 3 | 0 | 10 | 0 | 0 | 0 | 0 | - Cannabinoid receptor
- Cannabinoid receptor 1
- Cannabinoid receptor 2
| - 5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1H-pyrazole-3-carboxylic acid (1,3,3-trimethyl-bicyclo[2.2.1]hept-2-yl)-amide
- CHEMBL381689
|
BDBM50206509
 | 38 | 26 | 0 | 1 | 0 | 0 | 0 | 0 | - Adrenaline alpha1
- Adrenaline alpha2
- Bile salt export pump
- Bile salt export pump (BSEP)
- Canalicular multispecific organic anion transporter 1
- Canalicular multispecific organic anion transporter 2
- Carbonic anhydrase 1
- Carbonic anhydrase 12
- Carbonic anhydrase 2
- Carbonic anhydrase 9
- Multidrug resistance-associated protein 4
- Organic anion-transporting polypeptide 1D1 (Oatp1d1)
- Pannexin-1
- Solute carrier family 22 member 11
- Solute carrier family 22 member 12
- Solute carrier family 22 member 20
- Solute carrier family 22 member 6
- Solute carrier family 22 member 7
- Solute carrier family 22 member 8
- Solute carrier organic anion transporter family member 1A1
- Solute carrier organic anion transporter family member 1A4
- Solute carrier organic anion transporter family member 1C1
- Transient receptor potential cation channel subfamily A member 1
- UDP-glucuronosyltransferase 1-10
- UDP-glucuronosyltransferase 1-7
- UDP-glucuronosyltransferase 1-9
- Uridine-5'-diphosphoglucuronosyltransferase 1A1
- Uridine-5'-diphosphoglucuronosyltransferase 1A6
| - 4-Dipropylsulfamoyl-benzoic acid
- 4-Dipropylsulfamoyl-benzoic acid anion
- 4-Dipropylsulfamoyl-benzoic acid(probenecid)
- Benemid
- CHEMBL897
- PROBENECID
- Probalan
|
BDBM50235830
 | 0 | 65 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- Activin receptor type-1
- Aurora kinase A/Targeting protein for Xklp2
- Aurora kinase B
- Axin-1/Glycogen synthase kinase-3 beta
- BDNF/NT-3 growth factors receptor
- CAMK2A
- CaM kinase I delta
- Casein kinase I isoform alpha
- Cyclin-dependent kinase 7
- 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 protein kinase TTK
- 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 receptor
- Insulin-like growth factor I receptor
- Leukocyte tyrosine kinase receptor
- Macrophage colony stimulating factor receptor
- Mitogen-activated protein kinase 8
- Mitogen-activated protein kinase 9
- Mitogen-activated protein kinase kinase kinase kinase 2
- Mitogen-activated protein kinase kinase kinase kinase 4
- NT-3 growth factor receptor
- Platelet-derived growth factor receptor alpha
- 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
- Rho-associated protein kinase 2
- Ribosomal protein S6 kinase alpha-3
- Serine/threonine-protein kinase B-raf
- Serine/threonine-protein kinase Nek2
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase Sgk1
- Serine/threonine-protein kinase TAO2
- Serine/threonine-protein kinase TBK1
- Serine/threonine-protein kinase WEE1
- Serine/threonine-protein kinase pim-1
- Tyrosine kinase non-receptor protein 2
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase Fyn
- 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
- cGMP-dependent protein kinase 1 beta
| |
BDBM50326219
 | 60 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | - 5-hydroxytryptamine receptor 1A
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 2B
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 3A
- 5-hydroxytryptamine receptor 4 (5-HT4)
- 5-hydroxytryptamine receptor 7
- Acetylcholinesterase
- Adenosine receptor A1
- Adenosine receptor A2a
- Adenosine receptor A3
- Adrenergic alpha1B
- Alpha-1A adrenergic receptor
- Alpha-1D adrenergic receptor
- Alpha-2A adrenergic receptor
- Alpha-2B adrenergic receptor
- Amine oxidase (flavin-containing) A
- Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- Cannabinoid receptor 1
- Cholecystokinin receptor
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Dopamine receptor D2L/neurotensin receptor NTS1
- Endothelin-1 receptor
- Glucocorticoid receptor
- High-affinity choline transporter
- Histamine H1 receptor
- Histamine H2 receptor
- Histamine H3 receptor
- Imidazoline receptor 1 (I1R)
- Kappa-type opioid receptor
- Melanocortin receptor 4
- Melatonin receptor
- Mitogen-activated protein kinase 14
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Muscarinic acetylcholine receptor M5
- Neurokinin 1 receptor
- Neurokinin 2 receptor
- Neuronal acetylcholine receptor Alpha-4/Beta-2
- Neuropeptide Y receptor type 1
- Ribosyldihydronicotinamide dehydrogenase [quinone]
- Sodium-dependent dopamine transporter
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Tyrosine-protein kinase Lyn
| - 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one
- CHEMBL1242950
- CHEMBL2206334
|
BDBM50439674
 | 0 | 65 | 0 | 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
- Proteasome subunit beta type-1/beta type-5
| - RICOLINOSTAT
- US10858323, Compound 2
- US8609678, 2-(diphenylamino)-N-(7-(hydroxyamino)-7-oxoheptyl)pyrimidine-5-carboxamide [26]
|
BDBM82464
 | 65 | 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
| - CAS_71306
- NSC_71306
- RC 160
- Vapreotide
|