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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 = 'BDBM50061102'   
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


(RAT)		BDBM50061102
PNG
((2R,3R,4S)-4-Benzo[1,3]dioxol-5-yl-1-[2-(ethanesul...)
Show SMILES CCCN(CCN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2OCOc2c1)S(=O)(=O)CC
Show InChI InChI=1S/C26H34N2O7S/c1-4-12-28(36(31,32)5-2)14-13-27-16-21(19-8-11-22-23(15-19)35-17-34-22)24(26(29)30)25(27)18-6-9-20(33-3)10-7-18/h6-11,15,21,24-25H,4-5,12-14,16-17H2,1-3H3,(H,29,30)/t21-,24-,25+/m1/s1
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Similars
Article
PubMed
n/an/a 1.20n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Ability to displace endothelin ([125I]-ET-1) from endothelin A receptor derived from MMQ cells of rodent.

J Med Chem 40: 3217-27 (1997)


Article DOI: 10.1021/jm970101g
BindingDB Entry DOI: 10.7270/Q2C24VJR
More data for this
Ligand-Target Pair