BDBM126830 US8785467, 1-39

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

InChI Key InChIKey=KIYBJKHIYOZLEC-CABCVRRESA-N

Data  2 KI  2 IC50  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 126830   

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 DepthDetails 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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed
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 DepthDetails ArticlePubMed