BDBM50006439 CHEMBL309128::{1-[1-(1-Cyclohexylmethyl-2-hydroxy-3-{1-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1H-tetrazol-5-ylsulfanyl}-propylcarbamoyl)-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate

SMILES CN1CCN(CC1)C(=O)Cn1nnnc1SC[C@H](O)[C@H](CC1CCCCC1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C

InChI Key InChIKey=VMFSYJVCOABCNM-YDPTYEFTSA-N

Data  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50006439   

TargetRenin(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006439(CHEMBL309128 | {1-[1-(1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  359nMAssay Description:The compound was tested in vitro for inhibition of human plasma renin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed