BDBM50011702 CHEMBL169870::{1-[1-[1-Cyclohexylmethyl-2-hydroxy-2-(1-methyl-2-oxo-5-vinyl-pyrrolidin-3-yl)-ethylcarbamoyl]-2-(1H-imidazol-4-yl)-ethylcarbamoyl]-2-phenyl-ethyl}-carbamic acid tert-butyl ester

SMILES CN1[C@H](C[C@@H]([C@H](O)[C@H](CC2CCCCC2)NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1=O)C=C

InChI Key InChIKey=ZFZUCSZEDBBENP-HPMAGDRPSA-N

Data  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50011702   

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

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  2.5nMpH: 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
TargetCathepsin D(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  250nMAssay Description:Inhibitory concentration against Cathepsin DMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  1.5nMpH: 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
TargetCathepsin E(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  165nMAssay Description:Inhibitory concentration against cathepsin EMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGastricsin(Homo sapiens (Human))
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration against GastricsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPepsin A(Porcine)
Merck Sharp And Dohme Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50011702(CHEMBL169870 | {1-[1-[1-Cyclohexylmethyl-2-hydroxy...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibitory concentration against PepsinMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed