BDBM126826 US8785467, 1-29

SMILES Cc1c(nc(nc1Cl)OCCCc2ccc3ccccc3n2)NCc4c(nc(s4)C)C

InChI Key InChIKey=DWLPNEAIQATTGD-UHFFFAOYSA-N

Data  3 KI  5 IC50  2 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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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 126826   

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

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataEC50:  2.30E+3nMAssay Description:Activation of PXR (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataIC50: 900nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataIC50: 4.00E+3nMAssay Description:Displacement of MK499 from hERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataEC50:  2.00E+3nMAssay Description:Activation of PXR (unknown origin) assessed as CYP3A4 inductionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataIC50: 900nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/13/2024
Entry Details
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataKi:  0.00800nMAssay Description:The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/16/2014
Entry Details
Go to US Patent
PDB3D3D Structure (crystal)
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataKi:  0.00800nMAssay 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 Depth
Date in BDB:
12/13/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM126826(US8785467, 1-29)
Affinity DataKi:  0.00820nMAssay Description:Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/11/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)