BDBM50380637 CHEMBL2017061

SMILES: COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NC4CCOCC4)c3-c2cc1OC

InChI Key: InChIKey=BTYONSNIAIDRLB-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 = 50380637   

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))	BDBM50380637 (CHEMBL2017061) Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NC4CCOCC4)c3-c2cc1OC Show InChI InChI=1S/C22H24N4O4S/c1-28-16-9-13-3-6-26-12-24-19(20(26)15(13)10-17(16)29-2)18-11-23-22(31-18)21(27)25-14-4-7-30-8-5-14/h9-12,14H,3-8H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay				Bioorg Med Chem Lett 22: 2585-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.113 BindingDB Entry DOI: 10.7270/Q2319WX5
					More data for this Ligand-Target Pair
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50380637 (CHEMBL2017061) Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NC4CCOCC4)c3-c2cc1OC Show InChI InChI=1S/C22H24N4O4S/c1-28-16-9-13-3-6-26-12-24-19(20(26)15(13)10-17(16)29-2)18-11-23-22(31-18)21(27)25-14-4-7-30-8-5-14/h9-12,14H,3-8H2,1-2H3,(H,25,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	550	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 human recombinant PDE7A1 assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay				Bioorg Med Chem Lett 22: 2585-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.113 BindingDB Entry DOI: 10.7270/Q2319WX5
					More data for this Ligand-Target Pair
Phosphodiesterase 3 (PDE3) (Homo sapiens (Human))	BDBM50380637 (CHEMBL2017061) Show SMILES COc1cc2CCn3cnc(-c4cnc(s4)C(=O)NC4CCOCC4)c3-c2cc1OC Show InChI InChI=1S/C22H24N4O4S/c1-28-16-9-13-3-6-26-12-24-19(20(26)15(13)10-17(16)29-2)18-11-23-22(31-18)21(27)25-14-4-7-30-8-5-14/h9-12,14H,3-8H2,1-2H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	828	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 human recombinant PDE3A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay				Bioorg Med Chem Lett 22: 2585-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.113 BindingDB Entry DOI: 10.7270/Q2319WX5
					More data for this Ligand-Target Pair