Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50036612'   

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 (Canis lupus familiaris)	BDBM50036612 (CHEMBL3354266) Show SMILES COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCc2ccccn2)cc1Cl Show InChI InChI=1S/C25H23ClN6O3/c1-34-22-9-8-17(12-21(22)26)13-29-23-20(24(33)30-14-18-6-2-4-10-27-18)15-31-25(32-23)35-16-19-7-3-5-11-28-19/h2-12,15H,13-14,16H2,1H3,(H,30,33)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Mitsubishi Tanabe Pharma Corporation Curated by ChEMBL					Assay Description Inhibition of dog lungs PDE5 using [3H]cGMP as substrate after 30 mins by scintillation counting analysis				Bioorg Med Chem Lett 24: 5460-5 (2015) Article DOI: 10.1016/j.bmcl.2014.10.008 BindingDB Entry DOI: 10.7270/Q2JS9S1W
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50036612 (CHEMBL3354266) Show SMILES COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)NCc2ccccn2)cc1Cl Show InChI InChI=1S/C25H23ClN6O3/c1-34-22-9-8-17(12-21(22)26)13-29-23-20(24(33)30-14-18-6-2-4-10-27-18)15-31-25(32-23)35-16-19-7-3-5-11-28-19/h2-12,15H,13-14,16H2,1H3,(H,30,33)(H,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of PDE5 (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2020.127337 BindingDB Entry DOI: 10.7270/Q2X35250
					More data for this Ligand-Target Pair