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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 = 'BDBM50284770'   
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


(Sus scrofa)		BDBM50284770
PNG
((S)-2-((R)-3-(2-Cyano-1H-indol-3-yl)-2-{2-[((2R,6S...)
Show SMILES CCCC[C@H](NC(=O)[C@@H](Cc1c([nH]c2ccccc12)C#N)NC(=O)C(CC(C)C)NC(=O)N1[C@@H](C)CCC[C@H]1C)C(O)=O
Show InChI InChI=1S/C32H46N6O5/c1-6-7-14-25(31(41)42)35-30(40)27(17-23-22-13-8-9-15-24(22)34-28(23)18-33)36-29(39)26(16-19(2)3)37-32(43)38-20(4)11-10-12-21(38)5/h8-9,13,15,19-21,25-27,34H,6-7,10-12,14,16-17H2,1-5H3,(H,35,40)(H,36,39)(H,37,43)(H,41,42)/t20-,21+,25-,26?,27+/m0/s1
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Similars
Article
n/an/a 474n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against 125 I-labeled ET-1 binding to Endothelin A receptor in porcine aortic smooth muscle membranes.

Bioorg Med Chem Lett 5: 1483-1488 (1995)


Article DOI: 10.1016/0960-894X(95)00237-N
BindingDB Entry DOI: 10.7270/Q27D2VM3
More data for this
Ligand-Target Pair