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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 = 'BDBM200541'   
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))
BDBM200541
PNG
(Roche-Dataset for PDE10A, Compound 469 | US9227970...)
Show SMILES Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(nn2c1)N1CCCC1
Show InChI InChI=1S/C19H22N8O2/c1-24-16(14(11-20-24)18(29)25-9-4-10-25)17(28)21-13-5-6-15-22-19(23-27(15)12-13)26-7-2-3-8-26/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,28)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.480n/an/an/an/an/an/a


TBA

Assay Description
Human PDE10A IC50 values were determined by using purified enzyme (Biomol cat. # SE-534) in a scintillation proximity assay (SPA) in 96 well plates (...


Citation and Details

Article DOI: 10.1007/s10822-022-00478-x
BindingDB Entry DOI: 10.7270/Q29W0JQD
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM200541
PNG
(Roche-Dataset for PDE10A, Compound 469 | US9227970...)
Show SMILES Cn1ncc(C(=O)N2CCC2)c1C(=O)Nc1ccc2nc(nn2c1)N1CCCC1
Show InChI InChI=1S/C19H22N8O2/c1-24-16(14(11-20-24)18(29)25-9-4-10-25)17(28)21-13-5-6-15-22-19(23-27(15)12-13)26-7-2-3-8-26/h5-6,11-12H,2-4,7-10H2,1H3,(H,21,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.800n/an/an/an/an/a25



Hoffmann-La Roche, Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...


US Patent US9227970 (2016)


BindingDB Entry DOI: 10.7270/Q2R78D19
More data for this
Ligand-Target Pair