BDBM147134 US8957077, J-5

SMILES Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)cn1

InChI Key InChIKey=YLPZTDCVMOWRPZ-UHFFFAOYSA-N

Data  3 KI  4 IC50  2 EC50

PDB links: 1 PDB ID matches this monomer.

  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 9 hits for monomerid = 147134   

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

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataEC50: >2.50E+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
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataIC50: 6.00E+4nMAssay Description:Displacement of MK499 from hERGMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataEC50:  2.30E+4nMAssay Description:Activation of PXR (unknown origin) assessed as CYP3A4 inductionMore data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 2C9(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataIC50: 1.50E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataIC50: 5.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataKi:  0.230nMAssay Description:Inhibition of PDE10A (unknown origin) by IMAP assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMedPDB3D3D Structure (crystal)
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataKi:  0.230nMAssay Description:Inhibition of human PDE10A2 transfected in human AD293 cells cytosolic fraction using cAMP as substrate by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails
PubMedPDB3D3D Structure (crystal)
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM147134(US8957077, J-5)
Affinity DataKi:  0.320nMAssay Description:In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exper...More data for this Ligand-Target Pair
In DepthDetails
US Patent
PDB3D3D Structure (crystal)