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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 = 'BDBM120687'   
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))
BDBM120687
PNG
(Roche-Dataset for PDE10A, Compound 912 | US8703768...)
Show SMILES CNC(=O)c1cc(F)c(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-13(21)14(22)5-15(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-16(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
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PC cid
PC sid
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Article
PubMed
n/an/a 0.740n/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))
BDBM120687
PNG
(Roche-Dataset for PDE10A, Compound 912 | US8703768...)
Show SMILES CNC(=O)c1cc(F)c(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-13(21)14(22)5-15(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-16(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
PDB
MMDB

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UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.800n/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