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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 = 'BDBM50146700'   
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))		BDBM50146700
PNG
((S)-(4,6-Dimethyl-pyrimidin-2-yloxy)-[(S)-5-(3-eth...)
Show SMILES CCc1cccc(c1)[C@@]1(NCC(=O)N(Cc2ccc(OC)cc2)c2ccccc12)[C@H](Oc1nc(C)cc(C)n1)C(O)=O
Show InChI InChI=1S/C33H34N4O5/c1-5-23-9-8-10-25(18-23)33(30(31(39)40)42-32-35-21(2)17-22(3)36-32)27-11-6-7-12-28(27)37(29(38)19-34-33)20-24-13-15-26(41-4)16-14-24/h6-18,30,34H,5,19-20H2,1-4H3,(H,39,40)/t30-,33+/m1/s1
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Article
PubMed
n/an/a 3.10n/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