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BDBM50397979 CHEMBL2180418::US8927738, 5,8-Dimethyl-2-[2-(1-methyl-2-thiophen-2-yl-1H-imidazol-4-yl)-ethyl]-[1,2,4]triazolo[1,5-a]pyrazine

SMILES: Cc1cnc(C)c2nc(CCc3cn(C)c(n3)-c3cccs3)nn12

InChI Key: InChIKey=QSNNSBMZPOPCLI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50397979   
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


(Homo sapiens (Human))
BDBM50397979
PNG
(CHEMBL2180418 | US8927738, 5,8-Dimethyl-2-[2-(1-me...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn(C)c(n3)-c3cccs3)nn12
Show InChI InChI=1S/C17H18N6S/c1-11-9-18-12(2)16-20-15(21-23(11)16)7-6-13-10-22(3)17(19-13)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
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Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE10A


J Med Chem 55: 7299-331 (2012)


Article DOI: 10.1021/jm3004976
BindingDB Entry DOI: 10.7270/Q2C24XJK
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50397979
PNG
(CHEMBL2180418 | US8927738, 5,8-Dimethyl-2-[2-(1-me...)
Show SMILES Cc1cnc(C)c2nc(CCc3cn(C)c(n3)-c3cccs3)nn12
Show InChI InChI=1S/C17H18N6S/c1-11-9-18-12(2)16-20-15(21-23(11)16)7-6-13-10-22(3)17(19-13)14-5-4-8-24-14/h4-5,8-10H,6-7H2,1-3H3
PDB
MMDB

Reactome pathway
KEGG

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DrugBank
antibodypedia
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PC sid
UniChem

Similars

US Patent
n/an/a 1n/an/an/an/an/a25



H. Lundbeck A/S

US Patent


Assay Description
A PDE10A assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme...


US Patent US8927738 (2015)


BindingDB Entry DOI: 10.7270/Q2183571
More data for this
Ligand-Target Pair