BDBM50011706 CHEMBL353944::{1-[1-[2-(1-Butyl-5,5-dimethyl-2-oxo-pyrrolidin-3-yl)-1-cyclohexylmethyl-2-hydroxy-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES CCCCN1C(=O)[C@@H](CC1(C)C)[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=KJQYIOYOHBXLEG-ZTTXAYQISA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50011706   

TargetCathepsin E(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  115nMAssay Description:Inhibitory concentration against cathepsin EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPepsin A(Porcine)
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration against PepsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  2.40nMpH: 7.4Assay Description:In vitro renin inhibition was measured at pH 7.4 by using human plasma renin assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  1.90nMpH: 7.4Assay Description:In vitro renin inhibition was measured at pH 7.4 by using purified human kidney renin assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastricsin(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration against GastricsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCathepsin D(Homo sapiens (Human))
Merck Sharp and Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011706(CHEMBL353944 | {1-[1-[2-(1-Butyl-5,5-dimethyl-2-ox...)
Affinity DataIC50:  100nMAssay Description:Inhibitory concentration against cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed