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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Endothelin-1 receptor' and Ligand = 'BDBM50122682'   
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-1 receptor


(Homo sapiens (Human))
BDBM50122682
PNG
(4'-Oxazol-2-yl-2'-styryl-biphenyl-2-sulfonic acid ...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2\C=C/c2ccccc2)-c2ncco2)c1C
Show InChI InChI=1S/C28H23N3O4S/c1-19-20(2)30-35-27(19)31-36(32,33)26-11-7-6-10-25(26)24-15-14-23(28-29-16-17-34-28)18-22(24)13-12-21-8-4-3-5-9-21/h3-18,31H,1-2H3/b13-12-
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against human endothelin A receptor expressed in CHO cells


J Med Chem 46: 125-37 (2002)


Article DOI: 10.1021/jm020289q
BindingDB Entry DOI: 10.7270/Q2348M3R
More data for this
Ligand-Target Pair