BDBM50448495 CHEMBL3126836

SMILES COc1ccc2-c3c(C4CCCCC4)c4ccc(cc4n3CC3(CC3c2c1)C(=O)N1C2CC1CN(Cc1ccccc1)C2)C(=O)NS(=O)(=O)N(C)C

InChI Key

Data  5 EC50

  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 = 50448495   

TargetCytochrome P450 1A2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50448495(CHEMBL3126836)
Affinity DataEC50: >1.30E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes after 30 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50448495(CHEMBL3126836)
Affinity DataEC50: >4.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes after 30 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50448495(CHEMBL3126836)
Affinity DataEC50:  3.10E+4nMAssay Description:Inhibition of CYP2C19 in human liver microsomes after 30 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50448495(CHEMBL3126836)
Affinity DataEC50:  7.00E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes after 30 mins in presence of NADPHMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Bristol-Myers Squibb Research and Development

Curated by ChEMBL
LigandPNGBDBM50448495(CHEMBL3126836)
Affinity DataEC50:  2.00E+3nMAssay Description:Transactivation of human PXR expressed in human HepG2 cells by luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/26/2014
Entry Details Article
PubMed