BDBM50336575 CHEMBL1672054::cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]-ethyl}-2-(4-fluoro-2-methylphenyl)-N-methyl-4,4'-bipiperidine-1-carboxamide

SMILES C[C@@H](N(C)C(=O)N1CC[C@@H](C[C@@H]1c1ccc(F)cc1C)N1CCN(CC1)C(C)=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=XGGTZCKQRWXCHW-WMTVXVAQSA-N

Data  4 KI  2 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 = 50336575   

TargetSubstance-P receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataKi:  0.126nMAssay Description:Displacement of [3H]GR205171 from human NK1 receptor in cortex homogenate by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataKi:  0.331nMAssay Description:Displacement of [3H]SP from human NK1 receptor expressed in CHO cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSigma non-opioid intracellular receptor 1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataKi:  2.98E+3nMAssay Description:Binding affinity to sigma 1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataKi:  4.93E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate by HPLC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataIC50:  9.72E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using nifedipine substrate by HPLC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50336575(CHEMBL1672054 | cis-(1'-Acetyl-N-{(1R)-1-[3,5-bis(...)
Affinity DataIC50:  9.86E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using midazolam substrate by HPLC-MS/MS methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed