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BDBM50129261 CHEMBL3629734

SMILES: COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C3CCC3)C(=O)C(C)(C)c2c1F

InChI Key: InChIKey=FFESNEXZYDHJIT-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50129261   
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))
BDBM50129261
PNG
(CHEMBL3629734)
Show SMILES COc1cn(nc(-c2ccnn2-c2ccccc2)c1=O)-c1ccc2N(C3CCC3)C(=O)C(C)(C)c2c1F
Show InChI InChI=1S/C28H26FN5O3/c1-28(2)23-19(33(27(28)36)17-10-7-11-17)12-13-20(24(23)29)32-16-22(37-3)26(35)25(31-32)21-14-15-30-34(21)18-8-5-4-6-9-18/h4-6,8-9,12-17H,7,10-11H2,1-3H3
PDB
MMDB

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PubMed
n/an/a 0.120n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 expressed in COS-7 cells using [3H]cGMP as substrate assessed as substrate hydrolysis after 60 mins by scintillation prox...


Bioorg Med Chem 23: 7138-49 (2015)


BindingDB Entry DOI: 10.7270/Q2NG4SGN
More data for this
Ligand-Target Pair