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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 = 'BDBM120734'   
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))
BDBM120734
PNG
(Roche-Dataset for PDE10A, Compound 740 | US8703768...)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1C(=O)N1CCCO1
Show InChI InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.75n/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))
BDBM120734
PNG
(Roche-Dataset for PDE10A, Compound 740 | US8703768...)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1C(=O)N1CCCO1
Show InChI InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
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MMDB

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UniProtKB/SwissProt

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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