Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50196780'   

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))	BDBM50196780 (CHEMBL3955253) Show SMILES CCOc1ccc(C[C@H]2C[C@H](C2)C(=O)NO)cc1-c1nc2c(CC)nn(C)c2c(=O)[nH]1 |r,wU:8.7,10.12,(57.87,-3.32,;57.87,-4.86,;59.21,-5.63,;59.21,-7.17,;57.88,-7.94,;57.88,-9.48,;59.22,-10.25,;59.23,-11.79,;60.57,-12.55,;62.04,-12.14,;62.45,-13.63,;60.96,-14.03,;63.79,-14.39,;63.79,-15.93,;65.12,-13.61,;66.45,-14.38,;60.55,-9.47,;60.54,-7.94,;61.87,-7.16,;63.2,-7.93,;64.53,-7.16,;65.99,-7.63,;66.47,-9.1,;67.97,-9.42,;66.89,-6.39,;65.99,-5.15,;66.47,-3.69,;64.53,-5.62,;63.2,-4.85,;63.2,-3.31,;61.87,-5.62,)| Show InChI InChI=1S/C22H27N5O4/c1-4-16-18-19(27(3)25-16)22(29)24-20(23-18)15-11-12(6-7-17(15)31-5-2)8-13-9-14(10-13)21(28)26-30/h6-7,11,13-14,30H,4-5,8-10H2,1-3H3,(H,26,28)(H,23,24,29)/t13-,14+	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	34	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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