BDBM50365476 CHEMBL1957361

SMILES: CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N

InChI Key: InChIKey=IMYDUDGJIZQSHN-UHFFFAOYSA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50365476   

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))	BDBM50365476 (CHEMBL1957361) Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N Show InChI InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human PDE10A catalytic domain expressed in Escherichia coli BL21-Gold(DE3) by enzyme inhibition assay				J Med Chem 56: 3228-34 (2013) Article DOI: 10.1021/jm301665y BindingDB Entry DOI: 10.7270/Q2G1625N
					More data for this Ligand-Target Pair				3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50365476 (CHEMBL1957361) Show SMILES CCOc1ccccc1-c1ccc(cc1)-c1nc2ccncc2c(O)c1C#N Show InChI InChI=1S/C23H17N3O2/c1-2-28-21-6-4-3-5-17(21)15-7-9-16(10-8-15)22-18(13-24)23(27)19-14-25-12-11-20(19)26-22/h3-12,14H,2H2,1H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant full length PDE10A using cAMP as substrate preincubated for 20 mins measured after 4 hrs				Bioorg Med Chem Lett 22: 1944-8 (2012) Article DOI: 10.1016/j.bmcl.2012.01.046 BindingDB Entry DOI: 10.7270/Q2KH0NTP
					More data for this Ligand-Target Pair				3D Structure (crystal)