BDBM50110612 1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethyl-phenyl)-3-{(S)-1-methyl-2-[2-(2-trifluoromethyl-1H-benzoimidazol-5-yl)-ethylamino]-ethyl}-1H-indol-5-yl)-2-methyl-propan-1-one::CHEMBL168726

SMILES C[C@H](CNCCc1ccc2nc([nH]c2c1)C(F)(F)F)c1c([nH]c2ccc(cc12)C(C)(C)C(=O)N1CC2CCC1CC2)-c1cc(C)cc(C)c1

InChI Key InChIKey=XWSMFYRZZIFQGL-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50110612   

TargetGonadotropin-releasing hormone receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110612(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of [125I]buserelin binding to human pituitary gonadotropin-releasing hormone receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetGonadotropin-releasing hormone receptor(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50110612(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)
Affinity DataIC50: 101nMAssay Description:Inhibition of gonadotropin-releasing hormone receptor-stimulated [3H]inositol phosphate hydrolysisMore 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
LigandPNGBDBM50110612(1-(2-Aza-bicyclo[2.2.2]oct-2-yl)-2-(2-(3,5-dimethy...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of cytochrome P450 3A4 enzymeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed