BDBM50328853 (3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-cyclopropyl-4-(4-(2-(2,6-dichloro-4-methylphenoxy)ethoxy)phenyl)piperidine-3-carboxamide::CHEMBL1269671

SMILES COCCCc1ccc(Cl)c(CN(C2CC2)C(=O)[C@H]2CNCC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)c1

InChI Key InChIKey=RDCUZWVELSAOBC-IHLOFXLRSA-N

Data  6 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50328853   

TargetRenin(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  0.220nMAssay Description:Inhibition of renin in bufferMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  4.80E+3nMAssay Description:Inhibition of CYP3A4 using midazolam as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetRenin(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  0.220nMAssay Description:Inhibition of renin in bufferMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  0.330nMAssay Description:Inhibition of renin in bufferMore data for this Ligand-Target Pair
TargetRenin(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  11.8nMAssay Description:Inhibition of renin in plasmaMore data for this Ligand-Target Pair
TargetCytochrome P450 3A4(Homo sapiens (Human))
Actelion Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50328853((3R,4S)-N-(2-chloro-5-(3-methoxypropyl)benzyl)-N-c...)
Affinity DataIC50:  8.10E+3nMAssay Description:Inhibition of CYP3A4 using testosterone as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed