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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50016000'   
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))		BDBM50016000
PNG
((2RS)-[{1-[1-(1-Cyclohexylmethyl-2-hydroxy-4-isobu...)
Show SMILES CCCCC(NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CC(=C)C(=O)NCC(C)C
Show InChI InChI=1S/C37H60N4O6/c1-8-9-20-29(39-35(45)31(23-28-18-14-11-15-19-28)41-36(46)47-37(5,6)7)34(44)40-30(22-27-16-12-10-13-17-27)32(42)21-26(4)33(43)38-24-25(2)3/h11,14-15,18-19,25,27,29-32,42H,4,8-10,12-13,16-17,20-24H2,1-3,5-7H3,(H,38,43)(H,39,45)(H,40,44)(H,41,46)/t29?,30-,31-,32-/m0/s1
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PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human renal renin using radioimmuno assay for angiotensin I production

J Med Chem 33: 371-4 (1990)


BindingDB Entry DOI: 10.7270/Q26972J7
More data for this
Ligand-Target Pair