BDBM50314646 (S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropyl-2-(4-(3-(2,6-dichloro-4-methylphenoxy)propyl)benzyl)propanamide::CHEMBL1093286

SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H](CN)Cc2ccc(CCCOc3c(Cl)cc(C)cc3Cl)cc2)c1

InChI Key InChIKey=YYIOQINMOGBBMF-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50314646   

TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50314646((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...)
Affinity DataIC50: 2.40nMAssay Description:Inhibition of human recombinant renin in human citreated-plasmaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50314646((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...)
Affinity DataIC50: 130nMAssay Description:Inhibition of CYP3A4 after 30 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed
TargetRenin(Human)
Merck Frosst Centre For Therapeutic Research

Curated by ChEMBL
LigandPNGBDBM50314646((S)-3-amino-N-(2-chloro-5-(3-methoxypropyl)benzyl)...)
Affinity DataIC50: 0.0900nMpH: 7.4Assay Description:Inhibition of human recombinant renin in PBS buffer at pH 7.4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/18/2010
Entry Details Article
PubMed