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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A' and Ligand = 'BDBM119778'   
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))
BDBM119778
PNG
(CHEMBL2180429 | US8691827, I-9)
Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCc3cnc([nH]3)-c3ccccc3)c2C1)-c1cccnc1
Show InChI InChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17H,13,15,18-19H2,(H,31,33)(H,34,38)(H,32,35,36)
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US Patent
2.19n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The PDE10 Ki is a measure of the ability of the test compound to inhibit the action of the PDE10 enzyme. The final product may be further modified, ...


US Patent US8691827 (2014)


BindingDB Entry DOI: 10.7270/Q2086409
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM119778
PNG
(CHEMBL2180429 | US8691827, I-9)
Show SMILES O=C(Nc1ccccc1)N1CCc2nc(nc(NCc3cnc([nH]3)-c3ccccc3)c2C1)-c1cccnc1
Show InChI InChI=1S/C29H26N8O/c38-29(34-22-11-5-2-6-12-22)37-15-13-25-24(19-37)28(36-27(35-25)21-10-7-14-30-16-21)32-18-23-17-31-26(33-23)20-8-3-1-4-9-20/h1-12,14,16-17H,13,15,18-19H2,(H,31,33)(H,34,38)(H,32,35,36)
PDB
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PC sid
UniChem

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Article
PubMed
2.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10A by fluorescence polarization assay


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair