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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 = 'BDBM50146666'   
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))		BDBM50146666
PNG
((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(2-met...)
Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3ccccc3C)c3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C31H30N4O4/c1-20-11-7-8-12-23(20)19-35-26-16-10-9-15-25(26)31(32-18-27(35)36,24-13-5-4-6-14-24)28(29(37)38)39-30-33-21(2)17-22(3)34-30/h4-17,28,32H,18-19H2,1-3H3,(H,37,38)/t28-,31+/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



Actelion Pharmaceuticals Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity towards human recombinant Endothelin A receptor expressed in chinese hamster ovary (CHO) cells determined using [125I]-ET-1 as ra...

J Med Chem 47: 2776-95 (2004)


Article DOI: 10.1021/jm031115r
BindingDB Entry DOI: 10.7270/Q2Z89BVT
More data for this
Ligand-Target Pair