Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 50039793   

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 (Bos taurus)	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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair				3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM14363 (3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...) Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1 Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50384240 (CHEMBL2030202) Show SMILES COc1ccc(C(=O)\C=C\c2cc(OC)c(OC)cc2OC)c(OC)c1 Show InChI InChI=1S/C20H22O6/c1-22-14-7-8-15(18(11-14)24-3)16(21)9-6-13-10-19(25-4)20(26-5)12-17(13)23-2/h6-12H,1-5H3/b9-6+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50384242 (CHEMBL2030209) Show SMILES COc1ccc(\C=C\C(=O)c2c(OCc3ccccc3)cc(OC)c(OC)c2OC)cc1OC Show InChI InChI=1S/C27H28O7/c1-29-21-14-12-18(15-22(21)30-2)11-13-20(28)25-23(34-17-19-9-7-6-8-10-19)16-24(31-3)26(32-4)27(25)33-5/h6-16H,17H2,1-5H3/b13-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50384241 (CHEMBL2030203) Show SMILES COc1ccc(C(=O)\C=C\c2cc(OC)ccc2OC)c(OC)c1 Show InChI InChI=1S/C19H20O5/c1-21-14-7-10-18(23-3)13(11-14)5-9-17(20)16-8-6-15(22-2)12-19(16)24-4/h5-12H,1-4H3/b9-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50384244 (CHEMBL2030216) Show SMILES COc1cccc(\C=C\C(=O)c2c3OCOc3c(OC)c3CN(C)CCc23)c1 Show InChI InChI=1S/C22H23NO5/c1-23-10-9-16-17(12-23)20(26-3)22-21(27-13-28-22)19(16)18(24)8-7-14-5-4-6-15(11-14)25-2/h4-8,11H,9-10,12-13H2,1-3H3/b8-7+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM50384243 (CHEMBL2030210) Show SMILES COc1ccc(OC)c(c1)C(=O)\C=C\c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C19H20O5/c1-21-14-7-10-17(22-2)15(12-14)16(20)8-5-13-6-9-18(23-3)19(11-13)24-4/h5-12H,1-4H3/b8-5+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Bos taurus)	BDBM14361 ((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...) Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1 Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Youai Co., Ltd Curated by ChEMBL					Assay Description Inhibition of bovine platelet PDE5				Bioorg Med Chem Lett 22: 3983-7 (2012) Article DOI: 10.1016/j.bmcl.2012.04.094 BindingDB Entry DOI: 10.7270/Q2RR209T
					More data for this Ligand-Target Pair