BDBM50380656 CHEMBL2017080

SMILES: CCOc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12

InChI Key: InChIKey=PEQLYWXDQWUMMO-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 = 50380656   

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))	BDBM50380656 (CHEMBL2017080) Show SMILES CCOc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12 Show InChI InChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	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 3 (PDE3) (Homo sapiens (Human))	BDBM50380656 (CHEMBL2017080) Show SMILES CCOc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12 Show InChI InChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	277	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
Phosphodiesterase 7 (Homo sapiens (Human))	BDBM50380656 (CHEMBL2017080) Show SMILES CCOc1cccc(c1)-c1ncn2CCc3cc(OC)c(OC)cc3-c12 Show InChI InChI=1S/C21H22N2O3/c1-4-26-16-7-5-6-15(10-16)20-21-17-12-19(25-3)18(24-2)11-14(17)8-9-23(21)13-22-20/h5-7,10-13H,4,8-9H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.76E+3	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