Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase' and Ligand = 'BDBM50258898'   

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))	BDBM50258898 (CHEMBL4064344) Show SMILES CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H17F3N4O3/c1-2-13(11-5-7-12(8-6-11)28-18(19,20)21)24-17(27)25-10-15(26)23-14-4-3-9-22-16(14)25/h3-9,13H,2,10H2,1H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged PDE5A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as ...				J Med Chem 60: 7677-7702 (2017) Article DOI: 10.1021/acs.jmedchem.7b00807 BindingDB Entry DOI: 10.7270/Q2P271JR
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50258898 (CHEMBL4064344) Show SMILES CCC(NC(=O)N1CC(=O)Nc2cccnc12)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H17F3N4O3/c1-2-13(11-5-7-12(8-6-11)28-18(19,20)21)24-17(27)25-10-15(26)23-14-4-3-9-22-16(14)25/h3-9,13H,2,10H2,1H3,(H,23,26)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited Curated by ChEMBL					Assay Description Inhibition of recombinant human full length N-terminal GST-tagged PDE5A1 expressed in baculovirus infected fall armyworm Sf9 cells using [3H]cGMP as ...				J Med Chem 60: 7677-7702 (2017) Article DOI: 10.1021/acs.jmedchem.7b00807 BindingDB Entry DOI: 10.7270/Q2P271JR
					More data for this Ligand-Target Pair