BDBM50345101 2-(9-methoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-ylthio)acetonitrile::CHEMBL1779384

SMILES: COc1ccc2nc(SCC#N)n3nc(C)nc3c2c1

InChI Key: InChIKey=JSCUJEZSIZYVFI-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50345101   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50345101 (2-(9-methoxy-2-methyl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES COc1ccc2nc(SCC#N)n3nc(C)nc3c2c1 Show InChI InChI=1S/C13H11N5OS/c1-8-15-12-10-7-9(19-2)3-4-11(10)16-13(18(12)17-8)20-6-5-14/h3-4,7H,6H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S Curated by ChEMBL					Assay Description Inhibition of PDE10A				Bioorg Med Chem Lett 21: 3738-42 (2011) Article DOI: 10.1016/j.bmcl.2011.04.067 BindingDB Entry DOI: 10.7270/Q24B31PT
					More data for this Ligand-Target Pair