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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 = 'BDBM50146734'   
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))		BDBM50146734
PNG
((S)-[(S)-5-Biphenyl-3-yl-1-(4-methoxy-benzyl)-2-ox...)
Show SMILES COc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2cccc(c2)-c2ccccc2)cc1
Show InChI InChI=1S/C37H34N4O5/c1-24-20-25(2)40-36(39-24)46-34(35(43)44)37(29-13-9-12-28(21-29)27-10-5-4-6-11-27)31-14-7-8-15-32(31)41(33(42)22-38-37)23-26-16-18-30(45-3)19-17-26/h4-21,34,38H,22-23H2,1-3H3,(H,43,44)/t34-,37+/m1/s1
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n/an/a 3n/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