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BDBM50209544 2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-quinolin-4-ylamino]-butyric acid::CHEMBL246799

SMILES: CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC)C(O)=O)c1C#N

InChI Key: InChIKey=CYYGJEUXNUKLNE-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50209544   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50209544
PNG
(2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluoro-qu...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(NC(CC)C(O)=O)c1C#N |w:26.28|
Show InChI InChI=1S/C28H24FN3O3/c1-3-23(28(33)34)31-27-21-15-19(29)13-14-24(21)32-26(22(27)16-30)18-11-9-17(10-12-18)20-7-5-6-8-25(20)35-4-2/h5-15,23H,3-4H2,1-2H3,(H,31,32)(H,33,34)
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Article
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n/an/a 5n/an/an/an/an/an/a



Bayer Pharmaceuticals Corporation

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A transfected in insect Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 17: 2869-73 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.061
BindingDB Entry DOI: 10.7270/Q2NS0TK0
More data for this
Ligand-Target Pair