BDBM50398008 CHEMBL2180426

SMILES: COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O

InChI Key: InChIKey=LFIXIGBAEJUZHT-UHFFFAOYSA-N

Data: 3 KI

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 = 50398008   

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))	BDBM50398008 (CHEMBL2180426) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C26H21N3O5/c1-33-17-12-10-16(11-13-17)29-22(27-20-8-4-3-6-18(20)25(29)31)14-15-28-24(30)19-7-5-9-21(34-2)23(19)26(28)32/h3-13H,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...				US Patent US8846000 (2014) BindingDB Entry DOI: 10.7270/Q2X63KM9
					More data for this Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (Homo sapiens (Human))	BDBM50398008 (CHEMBL2180426) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C26H21N3O5/c1-33-17-12-10-16(11-13-17)29-22(27-20-8-4-3-6-18(20)25(29)31)14-15-28-24(30)19-7-5-9-21(34-2)23(19)26(28)32/h3-13H,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of PDE10A by fluorescence polarization assay				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))	BDBM50398008 (CHEMBL2180426) Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(OC)c3C2=O)nc2ccccc2c1=O Show InChI InChI=1S/C26H21N3O5/c1-33-17-12-10-16(11-13-17)29-22(27-20-8-4-3-6-18(20)25(29)31)14-15-28-24(30)19-7-5-9-21(34-2)23(19)26(28)32/h3-13H,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of PDE10A (unknown origin)				Bioorg Med Chem Lett 25: 4893-8 (2015) BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
					More data for this Ligand-Target Pair