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BDBM50425143 CHEMBL2313247

SMILES: CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1

InChI Key: InChIKey=JHNQIJOFPJQWJX-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 = 50425143   
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
Phosphodiesterase Type 10 (PDE10A)


(Rattus norvegicus (rat))
BDBM50425143
PNG
(CHEMBL2313247)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
n/an/a 74n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of rat PDE10A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
Homo sapiens phosphodiesterase 2A (PDE2A)


(Homo sapiens (Human))
BDBM50425143
PNG
(CHEMBL2313247)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
PDB

UniProtKB/SwissProt

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 0.600n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50425143
PNG
(CHEMBL2313247)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE10A expressed in Sf9 cells by scintillation proximity assay


Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair