Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'cGMP-specific 3',5'-cyclic phosphodiesterase [535-860]'   

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 [535-860] (Homo sapiens (Human))	BDBM14390 (5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	7.8	24
University of North Carolina at Chapel Hill					Assay Description Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...				J Biol Chem 281: 21469-79 (2006) Article DOI: 10.1074/jbc.M512527200 BindingDB Entry DOI: 10.7270/Q290221F
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase [535-860] (Homo sapiens (Human))	BDBM15338 (5,7-dihydroxy-2-(4-methoxyphenyl)-8-(3-methylbutyl...) Show SMILES COc1ccc(cc1)-c1oc2c(CCC(C)C)c(O)cc(O)c2c(=O)c1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C27H32O10/c1-12(2)5-10-16-17(28)11-18(29)19-21(31)26(37-27-23(33)22(32)20(30)13(3)35-27)24(36-25(16)19)14-6-8-15(34-4)9-7-14/h6-9,11-13,20,22-23,27-30,32-33H,5,10H2,1-4H3/t13-,20-,22+,23+,27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	7.8	24
University of North Carolina at Chapel Hill					Assay Description Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...				J Biol Chem 281: 21469-79 (2006) Article DOI: 10.1074/jbc.M512527200 BindingDB Entry DOI: 10.7270/Q290221F
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase [535-860] (Homo sapiens (Human))	BDBM15336 (1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...) Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	7.8	24
University of North Carolina at Chapel Hill					Assay Description Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...				J Biol Chem 281: 21469-79 (2006) Article DOI: 10.1074/jbc.M512527200 BindingDB Entry DOI: 10.7270/Q290221F
					More data for this Ligand-Target Pair				3D Structure (crystal)