BDBM50332241 (S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)(dihydro-1H-pyrido[1,2-a]pyrazin-2(6H,7H,8H,9H,9aH)-yl)methanone::CHEMBL1287846

SMILES COc1cccc2c(cn(CC3CCCCC3)c12)C(=O)N1CCN2CCCC[C@H]2C1

InChI Key InChIKey=NTIFEVGVXWYYHK-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50332241   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50332241((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)
Affinity DataIC50: 6.00E+3nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50332241((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50332241((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50332241((S)-(1-(cyclohexylmethyl)-7-methoxy-1H-indol-3-yl)...)
Affinity DataIC50: 1.30E+4nMAssay Description:Inhibition of human CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/14/2011
Entry Details Article
PubMed