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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 = 'BDBM50056084'   
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)		BDBM50056084
PNG
((2R,3R,4S)-4-(3,4-Difluoro-phenyl)-2-(4-methoxy-ph...)
Show SMILES CCCN(C)C(=O)CN1C[C@@H]([C@H]([C@@H]1c1ccc(OC)cc1)C(O)=O)c1ccc(F)c(F)c1
Show InChI InChI=1S/C24H28F2N2O4/c1-4-11-27(2)21(29)14-28-13-18(16-7-10-19(25)20(26)12-16)22(24(30)31)23(28)15-5-8-17(32-3)9-6-15/h5-10,12,18,22-23H,4,11,13-14H2,1-3H3,(H,30,31)/t18-,22-,23+/m1/s1
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n/an/a 310n/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