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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 = 'BDBM120458'   
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))
BDBM120458
PNG
(Roche-Dataset for PDE10A, Compound 564 | US8703768...)
Show SMILES O=C(NC1CCC1)c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32)
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PC cid
PC sid
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Similars

US Patent
n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...


US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM120458
PNG
(Roche-Dataset for PDE10A, Compound 564 | US8703768...)
Show SMILES O=C(NC1CCC1)c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32)
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14n/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