BDBM50124629 CHEMBL3622879

SMILES Cc1nc(C)c(CNc2nc(nc(Cl)c2C)C2CC2)s1

InChI Key InChIKey=BKAQDKUFAULKQY-UHFFFAOYSA-N

Data  1 KI  2 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50124629   

TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50124629(CHEMBL3622879)
Affinity DataEC50:  1.90E+4nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50124629(CHEMBL3622879)
Affinity DataIC50: 1.70E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50124629(CHEMBL3622879)
Affinity DataIC50: 8.20E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50124629(CHEMBL3622879)
Affinity DataKi:  4.80nMAssay Description:Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)