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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 = 'BDBM50122699'   
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))
BDBM50122699
PNG
(2'-Imidazol-1-ylmethyl-4'-oxazol-2-yl-biphenyl-2-s...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(cc2Cn2ccnc2)-c2ncco2)c1C
Show InChI InChI=1S/C24H21N5O4S/c1-16-17(2)27-33-23(16)28-34(30,31)22-6-4-3-5-21(22)20-8-7-18(24-26-10-12-32-24)13-19(20)14-29-11-9-25-15-29/h3-13,15,28H,14H2,1-2H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
0.300n/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