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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 = 'BDBM50402937'   
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))
BDBM50402937
PNG
(CHEMBL2206221)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C23H23N5O2S/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
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Article
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n/an/a 0.199n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 using FAM-cAMP as substrate incubated for 60 mins prior to substrate addition measured after 90 mins by IMAP-FRET assay


Bioorg Med Chem Lett 22: 7371-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.078
BindingDB Entry DOI: 10.7270/Q2GB257C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50402937
PNG
(CHEMBL2206221)
Show SMILES OCC1CCN(CC1)c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1
Show InChI InChI=1S/C23H23N5O2S/c29-15-16-9-13-28(14-10-16)21-22(25-12-11-24-21)30-18-7-5-17(6-8-18)26-23-27-19-3-1-2-4-20(19)31-23/h1-8,11-12,16,29H,9-10,13-15H2,(H,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 200n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A using FAM-cAMP substrate by TR-FRET progressive binding assay


Bioorg Med Chem 22: 6570-85 (2015)


Article DOI: 10.1016/j.bmc.2014.10.013
BindingDB Entry DOI: 10.7270/Q2RB766Q
More data for this
Ligand-Target Pair