Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50038996'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50038996 (4-(Benzo[1,3]dioxol-5-ylmethoxy)-6,7,8-trimethoxy-...) Show SMILES COc1cc2c(OCc3ccc4OCOc4c3)ncnc2c(OC)c1OC Show InChI InChI=1S/C19H18N2O6/c1-22-15-7-12-16(18(24-3)17(15)23-2)20-9-21-19(12)25-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co. Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cyclic GMP-phosphodiesterase (PDE V) isolated from porcine aorta.				J Med Chem 36: 3765-70 (1994) BindingDB Entry DOI: 10.7270/Q279459H
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50038996 (4-(Benzo[1,3]dioxol-5-ylmethoxy)-6,7,8-trimethoxy-...) Show SMILES COc1cc2c(OCc3ccc4OCOc4c3)ncnc2c(OC)c1OC Show InChI InChI=1S/C19H18N2O6/c1-22-15-7-12-16(18(24-3)17(15)23-2)20-9-21-19(12)25-8-11-4-5-13-14(6-11)27-10-26-13/h4-7,9H,8,10H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Company Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against cGMP-phosphodiesterase from porcine aorta				J Med Chem 37: 2106-11 (1994) BindingDB Entry DOI: 10.7270/Q2Q52NPF
					More data for this Ligand-Target Pair