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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 = 'BDBM50056074'   
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)		BDBM50056074
PNG
((2R,3R,4S)-4-(2,3-Dihydro-benzofuran-6-yl)-2-(4-me...)
Show SMILES CCCN(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc2CCOc2c1
Show InChI InChI=1S/C26H32N2O5/c1-4-12-27(2)23(29)16-28-15-21(19-6-5-17-11-13-33-22(17)14-19)24(26(30)31)25(28)18-7-9-20(32-3)10-8-18/h5-10,14,21,24-25H,4,11-13,15-16H2,1-3H3,(H,30,31)/t21-,24-,25+/m1/s1
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Article
PubMed
n/an/a 137n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards endothelin A receptor in prolactin secreting rat pituitary cells using [125I]-ET-1 as radioligand.

J Med Chem 40: 322-30 (1997)


Article DOI: 10.1021/jm960077r
BindingDB Entry DOI: 10.7270/Q20C4TV2
More data for this
Ligand-Target Pair