BDBM126830 US8785467, 1-39

SMILES Cc1c(Cl)nc(OC[C@H]2C[C@@H]2c2ccccn2)nc1NCc1cnn(C)c1

InChI Key InChIKey=KIYBJKHIYOZLEC-UHFFFAOYSA-N

Data  3 KI  5 IC50  2 EC50

  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 10 hits for monomerid = 126830   

TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataIC50: 3.80E+3nMAssay 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
TargetNuclear receptor subfamily 1 group I member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataEC50:  5.60E+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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataIC50: 5.20E+3nMAssay 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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataIC50: 6.00E+4nMAssay 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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataEC50:  6.00E+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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataIC50: 5.00E+3nMAssay 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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataIC50: 4.00E+3nMAssay 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
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataKi:  0.440nMAssay 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

TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataKi:  0.440nMAssay Description:Inhibition of PDE10A (unknown origin) by IMAP assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/4/2020
Entry Details Article
PubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM126830(US8785467, 1-39)
Affinity DataKi:  0.440nMAssay 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
PubMed