BDBM50305452 CHEMBL591578::methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cyclohexyl-3-(methylamino)propan-2-ylcarbamoyl)piperidin-3-yl)methoxy)ethylcarbamate

SMILES CNC[C@H](CC1CCCCC1)NC(=O)N1CCC[C@H](C1)[C@@H](OCCNC(=O)OC)c1cccc(Cl)c1

InChI Key InChIKey=JQRFWBUMHAMLAJ-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50305452   

TargetRenin(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 0.480nMAssay Description:Inhibition of trypsin-activated human recombinant reninMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetRenin(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 0.820nMAssay Description:Inhibition of human recombinant renin assessed as decrease in plasma renin activity by competitive radioimmunoassay in presence of human plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/31/2010
Entry Details Article
PubMed
TargetRenin(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of renin in plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 4.60E+3nMAssay Description:Inhibition of CYP3A4 using testosterone as substrate in human liver microsome for 20 mins by HPLC analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRenin(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 0.820nMAssay Description:Inhibition of renin in human plasma assessed as formation of angiotensin1 product after 90 mins by competitive radioimmunoassayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRenin(Human)
Vitae Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50305452(methyl 2-((R)-(3-chlorophenyl)((R)-1-((S)-1-cycloh...)
Affinity DataIC50: 0.480nMAssay Description:Inhibition of human recombinant renin using DABCYL-gamma-Abu-Ile-His-Pro-Phe-His-Leu-Val-Ile-His-Thr-EDANS as substrate for 60 mins by fluorimetryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed