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BDBM50048258 CHEMBL3315046

SMILES: Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12

InChI Key: InChIKey=DSAXKNCBRVJKHC-UHFFFAOYSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50048258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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


(Mus musculus)
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.70n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of mouse recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
PDB
MMDB

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PC sid
UniChem

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Article
PubMed
n/an/a 2.60n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged PDE10A using [3H]-cAMP as substrate after 30 mins by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Rattus norvegicus (rat))
BDBM50048258
PNG
(CHEMBL3315046)
Show SMILES Cn1cc(-c2ccc(Oc3ncccc3-c3ccncc3)cc2)c2ncc(Cl)cc12
Show InChI InChI=1S/C24H17ClN4O/c1-29-15-21(23-22(29)13-18(25)14-28-23)16-4-6-19(7-5-16)30-24-20(3-2-10-27-24)17-8-11-26-12-9-17/h2-15H,1H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10n/an/an/an/an/an/a



Glenmark Pharmaceuticals Ltd

Curated by ChEMBL


Assay Description
Inhibition of rat recombinant GST-tagged PDE10A using [3H]-cAMP as substrate by scintillation proximity assay


Bioorg Med Chem Lett 24: 3238-42 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.028
BindingDB Entry DOI: 10.7270/Q25D8TGJ
More data for this
Ligand-Target Pair