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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 = 'BDBM50146670'   
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))		BDBM50146670
PNG
((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-2-oxo-5-...)
Show SMILES Cc1cc(C)nc(O[C@H](C(O)=O)[C@]2(NCC(=O)N(Cc3cccc(OC(F)(F)F)c3)c3ccccc23)c2ccccc2)n1
Show InChI InChI=1S/C31H27F3N4O5/c1-19-15-20(2)37-29(36-19)42-27(28(40)41)30(22-10-4-3-5-11-22)24-13-6-7-14-25(24)38(26(39)17-35-30)18-21-9-8-12-23(16-21)43-31(32,33)34/h3-16,27,35H,17-18H2,1-2H3,(H,40,41)/t27-,30+/m1/s1
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n/an/a 11n/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