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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50022379'   
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))
BDBM50022379
PNG
(CHEMBL3142221 | CHEMBL69634 | [1-[1-[1-Cyclohexylm...)
Show SMILES COc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](CC2CCCCC2)[C@@H](O)CS(=O)(=O)C(C)C)cc1
Show InChI InChI=1S/C34H53N5O8S/c1-22(2)48(44,45)20-30(40)27(16-23-10-8-7-9-11-23)37-32(42)29(18-25-19-35-21-36-25)38-31(41)28(39-33(43)47-34(3,4)5)17-24-12-14-26(46-6)15-13-24/h12-15,19,21-23,27-30,40H,7-11,16-18,20H2,1-6H3,(H,35,36)(H,37,42)(H,38,41)(H,39,43)/t27-,28-,29-,30-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 3n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Evaluated in vitro for inhibitory potency against renin.


J Med Chem 30: 2137-44 (1987)


Article DOI: 10.1021/jm00394a035
BindingDB Entry DOI: 10.7270/Q2RJ4K2D
More data for this
Ligand-Target Pair