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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50003189'   
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))		BDBM50003189
PNG
(CHEMBL122919 | N-(6-Cyclohexylmethyl-7-hydroxy-10-...)
Show SMILES O[C@@H]1[C@H](CC2CCCCC2)NC(=O)[C@H](COC(=O)CCC[C@H](CN2CCOCC2)OC1=O)NC(=O)COc1ccccc1
Show InChI InChI=1S/C31H45N3O9/c35-27(21-41-23-10-5-2-6-11-23)32-26-20-42-28(36)13-7-12-24(19-34-14-16-40-17-15-34)43-31(39)29(37)25(33-30(26)38)18-22-8-3-1-4-9-22/h2,5-6,10-11,22,24-26,29,37H,1,3-4,7-9,12-21H2,(H,32,35)(H,33,38)/t24-,25+,26+,29-/m1/s1
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n/an/a 61n/an/an/an/a7.4n/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory activity against human renin inhibition (at pH 7.4)

J Med Chem 35: 3755-73 (1992)


BindingDB Entry DOI: 10.7270/Q26W9BPZ
More data for this
Ligand-Target Pair