BDBM50220123 1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phenyl)propan-2-yl)-1,2,4-oxadiazol-3-yl)-4-(4-fluoro-2-methylphenyl)pyrrolidine-1-carbonyl)piperidin-1-yl)ethanone::CHEMBL392465

SMILES CC(=O)N1CCC(CC1)C(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1C)c1noc(n1)C(C)(C)c1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=VCENFKCGBAWAEQ-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50220123   

TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 0.0700nMAssay Description:Displacement of [125I]SP from human NK1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 6nMAssay 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 Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 6.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50220123(1-(4-((3R,4S)-3-(5-(2-(3,5-bis(trifluoromethyl)phe...)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed