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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 = 'BDBM120672'   
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))
BDBM120672
PNG
(Roche-Dataset for PDE10A, Compound 803 | US8703768...)
Show SMILES CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33)
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PC cid
PC sid
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Similars

US Patent
n/an/a 0.300n/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))
BDBM120672
PNG
(Roche-Dataset for PDE10A, Compound 803 | US8703768...)
Show SMILES CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33)
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MMDB

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KEGG

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.310n/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