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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 = 'BDBM50146702'   
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))		BDBM50146702
PNG
((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-1-(2-flu...)
Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3ccccc3F)c3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C30H27FN4O4/c1-19-16-20(2)34-29(33-19)39-27(28(37)38)30(22-11-4-3-5-12-22)23-13-7-9-15-25(23)35(26(36)17-32-30)18-21-10-6-8-14-24(21)31/h3-16,27,32H,17-18H2,1-2H3,(H,37,38)/t27-,30+/m1/s1
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PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.5n/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