BDBM50209531 (R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-propionic acid::CHEMBL248380

SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N

InChI Key InChIKey=SXFYSRMCZRZBKE-MRXNPFEDSA-N

Data  4 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50209531   

TargetCytochrome P450 2C9(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50209531((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Affinity DataIC50:  2.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50209531((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assayMore data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50209531((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Affinity DataIC50:  6nMAssay Description:Inhibition of human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) by enzyme inhibition assayMore data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50209531((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Affinity DataKd:  40nMAssay Description:Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assayMore data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Bayer Pharmaceuticals

Curated by ChEMBL
LigandPNGBDBM50209531((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Affinity DataIC50:  8nMAssay Description:Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrsMore data for this Ligand-Target Pair