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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Renin' and Ligand = 'BDBM50009620'   
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))
BDBM50009620
PNG
(CHEMBL431854 | [1-(11-Cyclohexylmethyl-12-hydroxy-...)
Show SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)NCCOC(=O)[C@H](O)[C@H](CC2CCCCC2)NC1=O
Show InChI InChI=1S/C31H46N4O8/c1-31(2,3)43-30(41)35-24(19-21-12-8-5-9-13-21)28(39)33-22-14-15-25(36)32-16-17-42-29(40)26(37)23(34-27(22)38)18-20-10-6-4-7-11-20/h5,8-9,12-13,20,22-24,26,37H,4,6-7,10-11,14-19H2,1-3H3,(H,32,36)(H,33,39)(H,34,38)(H,35,41)/t22-,23-,24-,26+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 610n/an/an/an/a7.4n/a



Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL


Assay Description
The compound was evaluated in vitro for inhibition of human plasma renin at pH 7.4.


J Med Chem 34: 2692-701 (1991)


Article DOI: 10.1021/jm00113a005
BindingDB Entry DOI: 10.7270/Q2P26X4R
More data for this
Ligand-Target Pair