Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'cGMP-dependent 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50460675'   

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-dependent 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50460675 (CHEMBL4227300) Show SMILES OC(=O)CC1CCCc2c1n(Cc1ccc(cc1)C(F)(F)F)c1c(cc(F)cc21)C(F)(F)F Show InChI InChI=1S/C23H18F7NO2/c24-15-9-17-16-3-1-2-13(8-19(32)33)20(16)31(21(17)18(10-15)23(28,29)30)11-12-4-6-14(7-5-12)22(25,26)27/h4-7,9-10,13H,1-3,8,11H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	233	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc. Curated by ChEMBL					Assay Description Inhibition of PDE2 (unknown origin)				Bioorg Med Chem Lett 28: 1122-1126 (2018) Article DOI: 10.1016/j.bmcl.2018.01.039 BindingDB Entry DOI: 10.7270/Q2QV3Q4C
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