BDBM50314388 (1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-7-(1-tert-butyl-1,2,3,6-tetrahydropyridin-4-yl)-1-(4-fluorophenyl)-2,3,8,8a-tetrahydroindolizin-5(1H)-one::CHEMBL1089270

SMILES C[C@@H](O[C@H]1CN2C(CC(=CC2=O)C2=CCN(CC2)C(C)(C)C)[C@@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=LRJYGHMKTIYPPQ-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 = 50314388   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 3.00E+4nMAssay Description:Induction of human PXRMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 0.180nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 1.90nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of 50% human serumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 3.65E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50314388((1S,2R)-2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)e...)
Affinity DataIC50: 3.57E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/29/2012
Entry Details Article
PubMed