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Compile Data Set for Download or QSAR

Found 1 hit of kd for monomerid = 50209531   
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))
BDBM50209531
PNG
((R)-2-[3-cyano-2-(2'-ethoxy-biphenyl-4-yl)-6-fluor...)
Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccc(F)cc2c(N[C@H](C)C(O)=O)c1C#N
Show InChI InChI=1S/C27H22FN3O3/c1-3-34-24-7-5-4-6-20(24)17-8-10-18(11-9-17)25-22(15-29)26(30-16(2)27(32)33)21-14-19(28)12-13-23(21)31-25/h4-14,16H,3H2,1-2H3,(H,30,31)(H,32,33)/t16-/m1/s1
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Similars

Article
PubMed
n/an/an/a 40n/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Binding affinity to human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) after 15 mins by SPR inhibition in solution assay


J Med Chem 56: 3228-34 (2013)


Article DOI: 10.1021/jm301665y
BindingDB Entry DOI: 10.7270/Q2G1625N
More data for this
Ligand-Target Pair