BDBM50277511 3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-4-(4-fluorophenyl)octahydro-1H-isoindol-2-yl]cyclopent-2-en-1-one::CHEMBL447955

SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=FLNYCRJBCNNHRH-OIYLJQICSA-N

Data  2 KI  12 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50277511   

TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataKi:  2.40nMAssay Description:Binding affinity to human NK2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataKi:  2.40nMAssay Description:Binding affinity to human NK3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  9.5nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cells in presence of human serumMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  0.0600nMAssay Description:Displacement of [125I]substance P from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  0.0600nMAssay Description:Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in absence of human serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  9.5nMAssay Description:Displacement of [125I]substance P human recombinant NK1 receptor expressed in CHO cells in presence of human serum albuminMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50: >1.00E+5nMAssay Description:Inhibition of human CYP1A2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuromedin-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  2.40E+3nMAssay Description:Binding affinity to human NK3 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  3.90E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  5.80E+4nMAssay Description:Inhibition of human CYP2C8More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  3.00E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  2.90E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSubstance-K receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  2.40E+3nMAssay Description:Binding affinity to human NK2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50277511(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)
Affinity DataIC50:  3.50E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed