BDBM50220119 (3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-methylpyrazine-5-carbonyl)pyrrolidine-3-carboxamide::CHEMBL235882

SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)[C@H]1CN(C[C@@H]1c1ccc(F)cc1C)C(=O)c1cnc(C)cn1

InChI Key InChIKey=PDQQOEIEIIKGPR-PKTZIBPZSA-N

Data  5 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 5 hits for monomerid = 50220119   

TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50:  1.10E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50:  0.0900nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50:  4.30E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50:  8nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220119((3R,4S)-N-(3,5-bis(trifluoromethyl)benzyl)-4-(4-fl...)
Affinity DataIC50:  7.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed