BDBM50364328 CHEMBL1949938

SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(C(O)c3ccccn3)c2c1

InChI Key InChIKey=VPLAJHSHSVVJEM-UHFFFAOYSA-N

Data  1 KI  2 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 = 50364328   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364328(CHEMBL1949938)
Affinity DataIC50: 4.60E+3nMAssay Description:Reversible inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364328(CHEMBL1949938)
Affinity DataIC50: 1.06E+4nMAssay Description:Time dependent inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50364328(CHEMBL1949938)
Affinity DataKi:  54nMAssay Description:Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/23/2012
Entry Details Article
PubMed