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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 = 'BDBM50146676'   
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))		BDBM50146676
PNG
((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(4-flu...)
Show SMILES COc1ccc(CN2c3ccccc3[C@](NCC2=O)([C@H](Oc2nc(C)cc(C)n2)C(O)=O)c2ccc(F)c(C)c2)cc1
Show InChI InChI=1S/C32H31FN4O5/c1-19-15-23(11-14-26(19)33)32(29(30(39)40)42-31-35-20(2)16-21(3)36-31)25-7-5-6-8-27(25)37(28(38)17-34-32)18-22-9-12-24(41-4)13-10-22/h5-16,29,34H,17-18H2,1-4H3,(H,39,40)/t29-,32+/m1/s1
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Article
PubMed
n/an/a 7.30n/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