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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM50209529'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50209529
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](Cc2ccccc2)C(O)=O)c1C#N
Show InChI InChI=1S/C33H26FN3O3/c1-2-40-30-11-7-6-10-25(30)22-12-14-23(15-13-22)31-27(20-35)32(26-19-24(34)16-17-28(26)36-31)37-29(33(38)39)18-21-8-4-3-5-9-21/h3-17,19,29H,2,18H2,1H3,(H,36,37)(H,38,39)/t29-/m1/s1
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PC cid
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n/an/a 22n/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