Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50196670'   

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))	BDBM50196670 (CHEMBL3898715) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(NC2CCC(CC2)C(=O)NO)ccc1OCC |(28.99,-46.19,;28.51,-44.73,;27.01,-44.41,;26.53,-42.94,;27.43,-41.7,;26.53,-40.46,;27.01,-39,;25.07,-40.94,;25.07,-42.47,;23.75,-43.24,;22.42,-42.48,;22.42,-40.94,;23.75,-40.16,;23.75,-38.62,;21.09,-43.25,;21.09,-44.78,;19.76,-45.56,;19.77,-47.1,;21.11,-47.86,;21.1,-49.4,;22.43,-50.16,;23.77,-49.39,;23.76,-47.85,;22.43,-47.08,;25.1,-50.16,;25.11,-51.7,;26.44,-49.39,;27.77,-50.16,;18.42,-44.79,;18.42,-43.25,;19.75,-42.48,;19.75,-40.94,;18.42,-40.17,;18.41,-38.63,)| Show InChI InChI=1S/C24H32N6O4/c1-4-6-18-20-21(30(3)28-18)24(32)27-22(26-20)17-13-16(11-12-19(17)34-5-2)25-15-9-7-14(8-10-15)23(31)29-33/h11-15,25,33H,4-10H2,1-3H3,(H,29,31)(H,26,27,32)	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	22	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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