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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 = 'BDBM120720'   
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))
BDBM120720
PNG
(Roche-Dataset for PDE10A, Compound 329 | US8703768...)
Show SMILES CCOC(=O)CCc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(c1)C(=O)NC
Show InChI InChI=1S/C25H27N7O4/c1-3-36-21(33)9-5-15-4-8-19(18(10-15)24(34)26-2)32-25(35)22-23(30-17-11-27-14-28-12-17)29-13-20(31-22)16-6-7-16/h4,8,10-14,16H,3,5-7,9H2,1-2H3,(H,26,34)(H,29,30)(H,32,35)
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PC sid
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Article
PubMed
n/an/a 0.590n/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))
BDBM120720
PNG
(Roche-Dataset for PDE10A, Compound 329 | US8703768...)
Show SMILES CCOC(=O)CCc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(c1)C(=O)NC
Show InChI InChI=1S/C25H27N7O4/c1-3-36-21(33)9-5-15-4-8-19(18(10-15)24(34)26-2)32-25(35)22-23(30-17-11-27-14-28-12-17)29-13-20(31-22)16-6-7-16/h4,8,10-14,16H,3,5-7,9H2,1-2H3,(H,26,34)(H,29,30)(H,32,35)
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MMDB

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UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.600n/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