BDBM50004413 CHEMBL433291::tert-butyl 3-[1-(1-cyclohexylmethyl-2-hydroxy-3-{1-[2-(4-pyridyl)ethyl]-1H-1,2,3,4-tetraazol-5-ylsulfanyl}propylcarbamoyl)-2-(1H-5-imidazolyl)ethylcarbamoyl]-4-phenylethyloxyacetyl::{1-[1-{1-Cyclohexylmethyl-2-hydroxy-3-[1-(2-pyridin-4-yl-ethyl)-1H-tetrazol-5-ylsulfanyl]-propylcarbamoyl}-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester; hydrate

SMILES CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSc1nnnn1CCc1ccncc1

InChI Key InChIKey=KGWMEGUZQYGIBN-YRCZKMHPSA-N

Data  2 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 2 hits for monomerid = 50004413   

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

Curated by ChEMBL
LigandPNGBDBM50004413(CHEMBL433291 | tert-butyl 3-[1-(1-cyclohexylmethyl...)
Affinity DataIC50:  31nMAssay Description:The compound was tested in vitro for inhibition of human plasma renin.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50004413(CHEMBL433291 | tert-butyl 3-[1-(1-cyclohexylmethyl...)
Affinity DataIC50:  31nMAssay Description:Inhibition of human plasma reninMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed