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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006852'   
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))		BDBM50006852
PNG
(4-(2-Amino-thiazol-4-yl)-N-(1-cyclohexylmethyl-2,3...)
Show SMILES CC(C)C[C@H](O)[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCc1csc(N)n1)NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C34H54N6O7S2/c1-23(2)19-30(41)31(42)28(20-24-9-5-3-6-10-24)38-32(43)27(14-13-26-22-48-34(35)36-26)37-33(44)29(21-25-11-7-4-8-12-25)39-49(45,46)40-15-17-47-18-16-40/h4,7-8,11-12,22-24,27-31,39,41-42H,3,5-6,9-10,13-21H2,1-2H3,(H2,35,36)(H,37,44)(H,38,43)/t27-,28-,29-,30-,31+/m0/s1
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MMDB

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PubMed
n/an/a 4.10n/an/an/an/an/an/a



Parke-Davis Pharmaceutical Research Division of Warner-Lambert Co.

Curated by ChEMBL


Assay Description
In vitro inhibition of monkey renin.

J Med Chem 35: 2562-72 (1992)


BindingDB Entry DOI: 10.7270/Q2ZK5H8V
More data for this
Ligand-Target Pair