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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50006149'   
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))		BDBM50006149
PNG
(2-[1-Benzyl-2-oxo-2-(4-propoxy-piperidin-1-yl)-eth...)
Show SMILES CCCC[C@H](O[C@@H](Cc1ccccc1)C(=O)N1CCC(CC1)OCCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C
Show InChI InChI=1S/C37H62N2O6/c1-5-7-18-33(36(42)38-31(25-28-14-10-8-11-15-28)35(41)32(40)24-27(3)4)45-34(26-29-16-12-9-13-17-29)37(43)39-21-19-30(20-22-39)44-23-6-2/h9,12-13,16-17,27-28,30-35,40-41H,5-8,10-11,14-15,18-26H2,1-4H3,(H,38,42)/t31-,32-,33-,34-,35+/m0/s1
PDB
MMDB

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PubMed
n/an/a 290n/an/an/an/a7.4n/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against purified renin at a pH of 6.0.

J Med Chem 35: 1722-34 (1992)


BindingDB Entry DOI: 10.7270/Q2C24VCH
More data for this
Ligand-Target Pair