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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin receptor ET-A' and Ligand = 'BDBM50407612'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Endothelin receptor ET-A


(Sus scrofa)
BDBM50407612
PNG
(CHEMBL341994)
Show SMILES CC(C)C[C@H]1NC(=O)[C@@H](NC(=O)[C@H]2CCCN2C(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O)C1=CCC=CC1 |c:48,t:45|
Show InChI InChI=1S/C34H42N6O7/c1-19(2)15-24-30(43)36-25(16-21-18-35-23-12-7-6-11-22(21)23)31(44)38-26(17-28(41)42)34(47)40-14-8-13-27(40)32(45)39-29(33(46)37-24)20-9-4-3-5-10-20/h3-4,6-7,10-12,18-19,24-27,29,35H,5,8-9,13-17H2,1-2H3,(H,36,43)(H,37,46)(H,38,44)(H,39,45)(H,41,42)/t24-,25+,26+,27-,29+/m1/s1
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KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 19n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
The compound was tested for binding inhibitory activity against Endothelin A receptor from porcine aortic smooth muscle membranes.


J Med Chem 38: 4309-24 (1995)


BindingDB Entry DOI: 10.7270/Q2D50M0H
More data for this
Ligand-Target Pair