BDBM163722 US9062059, 1-2

SMILES Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1

InChI Key InChIKey=LWZXBBCMVOLFBF-UHFFFAOYSA-N

Data  2 KI  3 IC50  1 EC50

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

Found 6 hits for monomerid = 163722   

LigandPNGBDBM163722(US9062059, 1-2)
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
LigandPNGBDBM163722(US9062059, 1-2)
Affinity DataEC50: >3.00E+4nMAssay 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

Curated by ChEMBL
LigandPNGBDBM163722(US9062059, 1-2)
Affinity DataIC50: 5.00E+4nMAssay 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

Curated by ChEMBL
LigandPNGBDBM163722(US9062059, 1-2)
Affinity DataIC50: 5.00E+4nMAssay 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
LigandPNGBDBM163722(US9062059, 1-2)
Affinity DataKi:  0.0300nMAssay Description:PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/16/2016
Entry Details
Go to US Patent

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

US Patent
LigandPNGBDBM163722(US9062059, 1-2)
Affinity DataKi:  0.600nMAssay 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