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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50016065'   
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
Renin


(Homo sapiens (Human))		BDBM50016065
PNG
((1-Benzyl-4-{1-[2-(1-benzylcarbamoyl-3-methyl-buty...)
Show SMILES CC(C)C[C@H](NC(=O)C\C=C/[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(O)CC(=O)N[C@@H](CC(C)C)C(=O)NCc1ccccc1
Show InChI InChI=1S/C38H56N4O6/c1-26(2)21-31(33(43)24-35(45)42-32(22-27(3)4)36(46)39-25-29-17-12-9-13-18-29)41-34(44)20-14-19-30(23-28-15-10-8-11-16-28)40-37(47)48-38(5,6)7/h8-19,26-27,30-33,43H,20-25H2,1-7H3,(H,39,46)(H,40,47)(H,41,44)(H,42,45)/b19-14-/t30-,31+,32+,33?/m1/s1
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PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Warner-Lambert Company

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin

J Med Chem 33: 838-45 (1990)


BindingDB Entry DOI: 10.7270/Q2T152M6
More data for this
Ligand-Target Pair