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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 = 'BDBM50041616'   
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))		BDBM50041616
PNG
((1S,2S,3R)-1-Benzo[1,3]dioxol-5-yl-3-(4-methoxy-ph...)
Show SMILES CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H26O6/c1-3-12-31-19-9-10-20-21(14-19)24(16-4-7-18(30-2)8-5-16)26(27(28)29)25(20)17-6-11-22-23(13-17)33-15-32-22/h4-11,13-14,24-26H,3,12,15H2,1-2H3,(H,28,29)/t24-,25+,26+/m1/s1
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PC sid
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Similars
PubMed
 11.3n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [125I]-ET-1 binding to cloned human ET-A receptor

J Med Chem 37: 1553-7 (1994)


BindingDB Entry DOI: 10.7270/Q2154G2V
More data for this
Ligand-Target Pair