Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50196771'   

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))	BDBM50196771 (CHEMBL3969922) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCN(CC2)c2ccc(cc2)C(=O)NO)ccc1OCC Show InChI InChI=1S/C29H35N7O4/c1-4-6-23-25-26(35(3)33-23)29(38)32-27(31-25)22-17-20(9-12-24(22)40-5-2)30-19-13-15-36(16-14-19)21-10-7-18(8-11-21)28(37)34-39/h7-12,17,19,30,39H,4-6,13-16H2,1-3H3,(H,34,37)(H,31,32,38)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Navarra Curated by ChEMBL					Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected Sf9 cells using cGMP as substrate after 30...				J Med Chem 59: 8967-9004 (2016) Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448
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