BDBM50301027 CHEMBL582806::N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl)-2-methyl-2-(5-(trifluoromethyl)pyridin-2-ylamino)propanamide

SMILES C[C@H](NC(=O)C(C)(C)Nc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N

InChI Key InChIKey=XPEAOXGBRVOUMK-UHFFFAOYSA-N

Data  3 IC50  1 EC50

  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 4 hits for monomerid = 50301027   

TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50301027(N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)
Affinity DataIC50: 7.5nMAssay Description:Displacement of [3H]CP-55940 from recombinant human CB1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50301027(N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)
Affinity DataIC50: 322nMAssay Description:Displacement of [3H]CP-55940 from recombinant human CB2 receptor expressed in CHO cellMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCannabinoid receptor 1(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50301027(N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)
Affinity DataEC50:  3.20nMAssay Description:Inverse agonist activity at human CB1 receptor assessed as forskolin-induced cAMP level by adenylyl cyclase activation flash plate assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50301027(N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)but...)
Affinity DataIC50: 2.03E+3nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2010
Entry Details Article
PubMed