Compound Name (alphabetical) | Enz. Inhib. Data | ITC Data | Binding Targets | Alternate Compound Names |
---|
Ki | IC50 | Kd | EC50 | Koff | Kon | Other |
---|
BDBM112777
| 44 | 21 | 0 | 0 | 0 | 0 | 0 | 0 | - 5-Hydroxytryptamine receptor 6 (5-HT6)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 2C
- Alpha-1A adrenergic receptor
- Alpha-2A adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Bile salt export pump
- CHRM5
- Cytochrome P450 2C8
- Cytochrome P450 2D1
- Cytochrome P450 2D18
- Cytochrome P450 2D2
- Cytochrome P450 2D3
- Cytochrome P450 2D6 (2D6)
- D(2) dopamine receptor
- Dopamine Transporter (DAT)
- GABA transporter
- GABA transporter 1
- HTR6
- Histamine H1 receptor
- Histamine H2 receptor
- Monoamine transporters; serotonin & dopamine
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Norepinephrine transporter
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Serotonin (5-HT) receptor
- Serotonin receptor 2a and 2c (5HT2A and 5HT2C)
- Sigma non-opioid intracellular receptor 1
- Sodium channel protein type I I alpha subunit
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
| - NORTRIPTYLINE
- US8629135, SW-02
|
BDBM25771
| 19 | 6 | 3 | 37 | 0 | 0 | 0 | 0 | - Beta-1 adrenergic receptor
- Beta-2 adrenergic receptor
- Beta-2 adrenergic receptor and beta-3 adrenergic receptor
- Beta-3 adrenergic receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- Galanin receptor 3
| - 1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol
- 4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol
- Aeromax
- Salmeterol
- Serevent
- salmeterol xinafoate
|
BDBM50026756
| 65 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | - GABA A Alpha2Beta1Gamma2
- GABA A Alpha4Beta2Gamma2
- GABA A receptor alpha-1/beta-1/gamma-2
- 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 (GABA(A) 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-HT1A)
- Adrenergic Alpha
- D(1A) dopamine receptor
- D(2) dopamine receptor
- D(3) dopamine receptor
- DOPAMINE
- DRD1
- DRD2
- Dopamine D1 receptor
- Dopamine D1B
- Dopamine D2 receptor
- Dopamine D2 receptor/Serotonin 2 (5-HT2) receptor
- Dopamine D5 receptor
- Dopamine receptor
- Dopamine receptors; D2 & D4
- Serotonin (5-HT) receptor
- 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 A2
- 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
|
BDBM50117922
| 4 | 60 | 0 | 1 | 0 | 0 | 0 | 0 | - Calcium channel (Type L)
- Calcium release-activated calcium channel
- Cytochrome P450 2D6 (2D6)
- Cytochrome P450 3A
- P-glycoprotein (P-gp)
- P-glycoprotein 1
- P-glycoprotein 1 and 3 (MDR1a/MDR1b)
- Potassium voltage-gated channel subfamily H member 2
- Sodium channel protein type 7 subunit alpha
- Twik-RElated Potassium (K+) channel 1 (TREK1)
- Voltage-dependent T-type calcium channel subunit alpha-1H
- Voltage-gated L-type calcium channel
- Voltage-gated T-type calcium channel
- Voltage-gated calcium channel subunit alpha Cav2.2
| - (1S,2S)-2-(2-((3-(1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydronaphthalen-2-yl 2-methoxyacetate
- 2-{2-[3-(1H-benzoimidazol-2-yl)-propylamino]-ethyl}-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester(Mibefradil)Methoxy-acetic acid
- CHEMBL45816
- MIBEFRADIL
- Methoxy-acetic acid (1S,2S)-2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester
- Methoxy-acetic acid 2-(2-{[3-(1H-benzoimidazol-2-yl)-propyl]-methyl-amino}-ethyl)-6-fluoro-1-isopropyl-1,2,3,4-tetrahydro-naphthalen-2-yl ester
- Mibefradil dihydrochloride
|
BDBM50134329
| 18 | 45 | 0 | 2 | 0 | 0 | 0 | 0 | - Carbonic anhydrase 1
- Carbonic anhydrase 2
- Carbonic anhydrase 3 (CA III)
- Carbonic anhydrase 4
- Carbonic anhydrase 6 (CA-VI)
- Carbonic anhydrase 9
- Estradiol receptor beta (ERβ)
- Estrogen receptor
- Steryl-sulfatase
| - CHEMBL122708
- Sulfamic acid (11R,12S,15S,16S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester
- Sulfamic acid (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl ester
- estra-1,3,5(10)-trien-17-one-3-sulphamate
- estrone3-O-sulfamate
|
BDBM50235830
| 0 | 65 | 0 | 0 | 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 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
- 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
- RAF serine/threonine protein kinase
- Rho-associated protein kinase 1
- Rho-associated protein kinase 2
- Ribosomal protein S6 kinase alpha-3
- SRC
- Serine/threonine-protein kinase Nek2
- Serine/threonine-protein kinase PAK 4
- Serine/threonine-protein kinase PIM
- Serine/threonine-protein kinase Sgk1
- 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
- cGMP-dependent protein kinase 1 beta
| |
BDBM50326219
| 60 | 0 | 0 | 5 | 0 | 0 | 0 | 0 | - 5-Hydroxytryptamine receptor 7 (5-HT7)
- 5-hydroxytryptamine receptor 1A (5-HT1A)
- 5-hydroxytryptamine receptor 1B
- 5-hydroxytryptamine receptor 2A
- 5-hydroxytryptamine receptor 2C
- 5-hydroxytryptamine receptor 3A
- 5-hydroxytryptamine receptor 4 (5-HT4)
- Acetylcholinesterase
- Adenosine receptor A1
- Adenosine receptor A2
- 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 and beta-3 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 receptor (H3)
- Imidazoline receptor 1 (I1R)
- Kappa-type opioid receptor
- Melanocortin receptor 4
- Melatonin receptor
- Mitogen-activated protein kinase 14
- Monoamine transporters; serotonin & dopamine
- Mu-type opioid receptor
- Muscarinic acetylcholine receptor M1
- Muscarinic acetylcholine receptor M1/M5 chimeric protein
- Muscarinic acetylcholine receptor M2
- Muscarinic acetylcholine receptor M3
- Muscarinic acetylcholine receptor M4
- Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit
- Neuropeptide Y receptor type 1
- Ribosyldihydronicotinamide dehydrogenase [quinone]
- Serotonin receptor (2b and 2c)
- Sodium-dependent noradrenaline transporter
- Sodium-dependent serotonin transporter
- Substance-K receptor
- Substance-P receptor
- Tyrosine-protein kinase Lyn
| - 4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one
- CHEMBL1242950
- CHEMBL2206334
|
BDBM50436850
| 0 | 65 | 0 | 0 | 0 | 0 | 0 | 0 | - ALK tyrosine kinase receptor
- ALK tyrosine kinase receptor (L1196M)
- BDNF/NT-3 growth factors receptor
- Epidermal growth factor receptor
- Hepatocyte growth factor receptor
- High affinity nerve growth factor receptor
- IRE1α
- Insulin receptor
- Insulin-like growth factor I receptor
- MAP kinase-interacting serine/threonine-protein kinase 2
- Platelet-derived growth factor receptor
- Proto-oncogene tyrosine-protein kinase ROS
- Proto-oncogene tyrosine-protein kinase receptor Ret
- Rho-associated protein kinase 2
- Testis-specific serine/threonine-protein kinase 1
- Transcription factor ETV6
- Tyrosine-protein kinase ABL1
- Tyrosine-protein kinase BTK
- Tyrosine-protein kinase JAK1
- Tyrosine-protein kinase JAK2
- Tyrosine-protein kinase JAK3
- Tyrosine-protein kinase SYK
- Tyrosine-protein kinase ZAP-70
- Tyrosine-protein kinase receptor FLT3
- p21-Activated kinase 2 (PAK2)
| - CERITINIB
- CHEMBL2403108
- LDK378
- US10053458, Comparative Example 2
- US9809572, Example 16
|
BDBM82464
| 65 | 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
| - CAS_71306
- NSC_71306
- RC 160
- Vapreotide
|
BDBM912
| 13 | 52 | 0 | 0 | 0 | 0 | 0 | 0 | - Angiotensin-converting enzyme
- Candidapepsin-2
- Cathepsin D
- Cathepsin E
- Chymotrypsin
- Cysteine protease
- Disintegrin and metalloproteinase domain-containing protein 9 (ADAM9)
- HCV NS3-NS4A Serine Proteinase
- HIV-1 Protease
- Human T-cell leukemia virus type I protease
- Human immunodeficiency virus type 1 protease
- Pepsin A
- Pepsinogen A5
- Plasmepsin 2
- Protease
- Renin
| - (3S,4S)-3-hydroxy-4-[(2S)-2-[(3S,4S)-3-hydroxy-6-methyl-4-[(2S)-3-methyl-2-[(2S)-3-methyl-2-(3-methylbutanamido)butanamido]butanamido]heptanamido]propanamido]-6-methylheptanoic acid
- CHEMBL296588
- Iva-Val-Val-Sta-Ala-Sta-OH
- N-[(3-Methyl-1-oxobutyl)-L-valyl-L-valyl-4-amino-3-hydroxy-6-methylheptanoyl-L-alanyl]-4-amino-3-hydroxy-6-methylheptanoic acid
- PEPSTATIN
- Pepstatine
- US9115083, Pepstatin
|