Compile Data Set for Download or QSAR

Found 46 hits with Last Name = 'thai' and Initial = 'km'   

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))	BDBM50027770 (CHEMBL245388) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCC(O)=O)CC1 Show InChI InChI=1S/C26H35N5O6S/c1-4-6-20-23-24(30(3)29-20)26(34)28-25(27-23)19-16-18(8-9-21(19)37-15-5-2)38(35,36)31-13-11-17(12-14-31)7-10-22(32)33/h8-9,16-17H,4-7,10-15H2,1-3H3,(H,32,33)(H,27,28,34)	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	0.0500	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027767 (CHEMBL246988) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C25H33N5O6S/c1-4-6-19-22-23(29(3)28-19)25(33)27-24(26-22)18-15-17(7-8-20(18)36-13-5-2)37(34,35)30-11-9-16(10-12-30)14-21(31)32/h7-8,15-16H,4-6,9-14H2,1-3H3,(H,31,32)(H,26,27,33)	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	0.110	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027766 (CHEMBL391333) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCC(O)=O)CC1 Show InChI InChI=1S/C25H33N5O6S/c1-4-6-19-22-23(29(3)28-19)25(33)27-24(26-22)18-15-17(8-9-20(18)36-5-2)37(34,35)30-13-11-16(12-14-30)7-10-21(31)32/h8-9,15-16H,4-7,10-14H2,1-3H3,(H,31,32)(H,26,27,33)	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	0.151	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027728 (CHEMBL394886) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C24H31N5O6S/c1-4-6-18-20-21(28(3)27-18)23(30)26-22(25-20)17-14-16(7-8-19(17)35-13-5-2)36(33,34)29-11-9-15(10-12-29)24(31)32/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,31,32)(H,25,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.151	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241303 (CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)	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	0.170	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241300 (CHEMBL245517 | ethyl hydrogen (4-(3-(1-methyl-7-ox...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(=O)OCC)CC1 Show InChI InChI=1S/C25H37N6O7PS/c1-5-8-20-22-23(29(4)28-20)25(32)27-24(26-22)19-16-18(9-10-21(19)37-15-6-2)40(35,36)31-13-11-30(12-14-31)17-39(33,34)38-7-3/h9-10,16H,5-8,11-15,17H2,1-4H3,(H,33,34)(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	0.182	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027773 (CHEMBL264319) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CCCC(O)=O)CC1 Show InChI InChI=1S/C26H35N5O6S/c1-4-7-20-23-24(30(3)29-20)26(34)28-25(27-23)19-16-18(10-11-21(19)37-5-2)38(35,36)31-14-12-17(13-15-31)8-6-9-22(32)33/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,32,33)(H,27,28,34)	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	0.219	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027771 (CHEMBL246329) Show SMILES CCCOc1ccc(NC(=O)CCC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C22H29N5O3/c1-5-8-16-19-20(27(4)26-16)22(29)25-21(24-19)15-13-14(23-18(28)9-6-2)10-11-17(15)30-12-7-3/h10-11,13H,5-9,12H2,1-4H3,(H,23,28)(H,24,25,29)	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	0.269	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241301 ((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(=O)OCC)CC1 Show InChI InChI=1S/C26H39N6O7PS/c1-5-8-21-23-24(30(4)29-21)26(33)28-25(27-23)20-18-19(9-10-22(20)38-16-6-2)41(36,37)32-13-11-31(12-14-32)15-17-40(34,35)39-7-3/h9-10,18H,5-8,11-17H2,1-4H3,(H,34,35)(H,27,28,33)	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	0.282	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241302 (CHEMBL245315 | ethyl hydrogen 1-(3-(1-methyl-7-oxo...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(=O)OCC Show InChI InChI=1S/C25H36N5O7PS/c1-5-8-20-22-23(29(4)28-20)25(31)27-24(26-22)19-16-18(9-10-21(19)36-15-6-2)39(34,35)30-13-11-17(12-14-30)38(32,33)37-7-3/h9-10,16-17H,5-8,11-15H2,1-4H3,(H,32,33)(H,26,27,31)	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	0.302	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241310 ((1-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyra...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(O)=O)CC1 Show InChI InChI=1S/C24H34N5O7PS/c1-4-6-19-21-22(28(3)27-19)24(30)26-23(25-21)18-14-17(7-8-20(18)36-13-5-2)38(34,35)29-11-9-16(10-12-29)15-37(31,32)33/h7-8,14,16H,4-6,9-13,15H2,1-3H3,(H,25,26,30)(H2,31,32,33)	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	0.324	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027734 (CHEMBL246136) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CC(O)=O)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-4-6-18-21-22(28(3)27-18)24(32)26-23(25-21)17-14-16(7-8-19(17)35-5-2)36(33,34)29-11-9-15(10-12-29)13-20(30)31/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,30,31)(H,25,26,32)	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	0.331	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241307 (CHEMBL394040 | diethyl (1-(3-(1-methyl-7-oxo-3-pro...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(=O)(OCC)OCC)CC1 Show InChI InChI=1S/C28H42N5O7PS/c1-6-10-23-25-26(32(5)31-23)28(34)30-27(29-25)22-18-21(11-12-24(22)38-17-7-2)42(36,37)33-15-13-20(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18,20H,6-10,13-17,19H2,1-5H3,(H,29,30,34)	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	0.339	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027727 (CHEMBL246743) Show SMILES CCCOc1ccc(NC(=O)C(C)C)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C22H29N5O3/c1-6-8-16-18-19(27(5)26-16)22(29)25-20(24-18)15-12-14(23-21(28)13(3)4)9-10-17(15)30-11-7-2/h9-10,12-13H,6-8,11H2,1-5H3,(H,23,28)(H,24,25,29)	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	0.347	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027768 (CHEMBL392182) Show SMILES CCCOc1ccc(NC(=O)CC)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C21H27N5O3/c1-5-8-15-18-19(26(4)25-15)21(28)24-20(23-18)14-12-13(22-17(27)7-3)9-10-16(14)29-11-6-2/h9-10,12H,5-8,11H2,1-4H3,(H,22,27)(H,23,24,28)	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	0.380	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241306 (CHEMBL245522 | diethyl 1-(3-(1-methyl-7-oxo-3-prop...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(=O)(OCC)OCC Show InChI InChI=1S/C27H40N5O7PS/c1-6-10-22-24-25(31(5)30-22)27(33)29-26(28-24)21-18-20(11-12-23(21)37-17-7-2)41(35,36)32-15-13-19(14-16-32)40(34,38-8-3)39-9-4/h11-12,18-19H,6-10,13-17H2,1-5H3,(H,28,29,33)	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	0.407	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027774 (CHEMBL246337) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCC(O)=O)CC1 Show InChI InChI=1S/C24H32N6O6S/c1-4-6-18-21-22(28(3)27-18)24(33)26-23(25-21)17-15-16(7-8-19(17)36-5-2)37(34,35)30-13-11-29(12-14-30)10-9-20(31)32/h7-8,15H,4-6,9-14H2,1-3H3,(H,31,32)(H,25,26,33)	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	0.407	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027730 (CHEMBL396610) Show SMILES CCCOc1ccc(NC(=O)C2CCCCC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C25H33N5O3/c1-4-9-19-21-22(30(3)29-19)25(32)28-23(27-21)18-15-17(12-13-20(18)33-14-5-2)26-24(31)16-10-7-6-8-11-16/h12-13,15-16H,4-11,14H2,1-3H3,(H,26,31)(H,27,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.417	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027769 (CHEMBL395660) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CCCC(O)=O)CC1 Show InChI InChI=1S/C27H37N5O6S/c1-4-7-21-24-25(31(3)30-21)27(35)29-26(28-24)20-17-19(10-11-22(20)38-16-5-2)39(36,37)32-14-12-18(13-15-32)8-6-9-23(33)34/h10-11,17-18H,4-9,12-16H2,1-3H3,(H,33,34)(H,28,29,35)	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	0.501	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027738 (CHEMBL246135) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCC(CC1)C(O)=O Show InChI InChI=1S/C23H29N5O6S/c1-4-6-17-19-20(27(3)26-17)22(29)25-21(24-19)16-13-15(7-8-18(16)34-5-2)35(32,33)28-11-9-14(10-12-28)23(30)31/h7-8,13-14H,4-6,9-12H2,1-3H3,(H,30,31)(H,24,25,29)	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	0.513	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027772 (CHEMBL63686) Show SMILES CCCOc1ccc(cc1-c1nc(O)c2n(C)nc(CCC)c2n1)S(=O)(=O)N1CCN(CP(=O)(OCC)OCC)CC1 Show InChI InChI=1S/C27H41N6O7PS/c1-6-10-22-24-25(31(5)30-22)27(34)29-26(28-24)21-18-20(11-12-23(21)38-17-7-2)42(36,37)33-15-13-32(14-16-33)19-41(35,39-8-3)40-9-4/h11-12,18H,6-10,13-17,19H2,1-5H3,(H,28,29,34)	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	0.575	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241309 (1-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyraz...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CC1)P(O)(O)=O Show InChI InChI=1S/C23H32N5O7PS/c1-4-6-18-20-21(27(3)26-18)23(29)25-22(24-20)17-14-16(7-8-19(17)35-13-5-2)37(33,34)28-11-9-15(10-12-28)36(30,31)32/h7-8,14-15H,4-6,9-13H2,1-3H3,(H,24,25,29)(H2,30,31,32)	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	0.708	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027733 (CHEMBL248165) Show SMILES CCCOc1ccc(NC(C)=O)cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C20H25N5O3/c1-5-7-15-17-18(25(4)24-15)20(27)23-19(22-17)14-11-13(21-12(3)26)8-9-16(14)28-10-6-2/h8-9,11H,5-7,10H2,1-4H3,(H,21,26)(H,22,23,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.813	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241308 ((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(O)=O)CC1 Show InChI InChI=1S/C24H35N6O7PS/c1-4-6-19-21-22(28(3)27-19)24(31)26-23(25-21)18-16-17(7-8-20(18)37-14-5-2)39(35,36)30-11-9-29(10-12-30)13-15-38(32,33)34/h7-8,16H,4-6,9-15H2,1-3H3,(H,25,26,31)(H2,32,33,34)	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	0.933	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair				3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50241305 ((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...) Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(=O)(OCC)OCC)CC1 Show InChI InChI=1S/C28H43N6O7PS/c1-6-10-23-25-26(32(5)31-23)28(35)30-27(29-25)22-20-21(11-12-24(22)39-18-7-2)43(37,38)34-15-13-33(14-16-34)17-19-42(36,40-8-3)41-9-4/h11-12,20H,6-10,13-19H2,1-5H3,(H,29,30,35)	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	1.05	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (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 Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	1.78	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50151869 (4-(3-(ethyl(3-(propylsulfinyl)propyl)amino)-2-hydr...) Show SMILES CCCS(=O)CCCN(CC)CC(O)COc1ccc(cc1)C#N Show InChI InChI=1S/C18H28N2O3S/c1-3-11-24(22)12-5-10-20(4-2)14-17(21)15-23-18-8-6-16(13-19)7-9-18/h6-9,17,21H,3-5,10-12,14-15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027726 (CHEMBL245790) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2OCCOc12)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C23H30N6O6S/c1-3-4-17-19-20(27(2)26-17)23(31)25-22(24-19)16-13-15(14-18-21(16)35-12-11-34-18)36(32,33)29-7-5-28(6-8-29)9-10-30/h13-14,30H,3-12H2,1-2H3,(H,24,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50027775 (CHEMBL245391) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2OCCOc12)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H28N6O5S/c1-4-5-16-18-19(27(3)25-16)22(29)24-21(23-18)15-12-14(13-17-20(15)33-11-10-32-17)34(30,31)28-8-6-26(2)7-9-28/h12-13H,4-11H2,1-3H3,(H,23,24,29)	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	7.94	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50251141 (5-chloro-1-(4-fluorophenyl)-N,N-dimethyl-1H-indol-...) Show SMILES CN(C)c1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12 Show InChI InChI=1S/C16H14ClFN2/c1-19(2)16-10-20(13-6-4-12(18)5-7-13)15-8-3-11(17)9-14(15)16/h3-10H,1-2H3	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	11	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50411587 (CHEMBL397076) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2CCCOc12)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H32N6O5S/c1-3-5-19-20-21(28(2)27-19)24(32)26-23(25-20)18-15-17(14-16-6-4-13-35-22(16)18)36(33,34)30-9-7-29(8-10-30)11-12-31/h14-15,31H,3-13H2,1-2H3,(H,25,26,32)	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	12.6	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50029593 (CHEMBL7162 | N-(2-(cyclohexyloxy)-4-nitrophenyl)me...) Show SMILES CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O Show InChI InChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM35254 (2-methyl-4-(4-methylpiperazin-1-yl)-10H-thieno[2,3...) Show SMILES CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12 |t:8| Show InChI InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	181	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50411586 (CHEMBL245595) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2CCOc12)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-3-4-18-19-20(27(2)26-18)23(31)25-22(24-19)17-14-16(13-15-5-12-34-21(15)17)35(32,33)29-8-6-28(7-9-29)10-11-30/h13-14,30H,3-12H2,1-2H3,(H,24,25,31)	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	204	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM87351 (Amsacrine hydrochloride | CHEMBL43 | MLS002153376 ...) Show SMILES COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12 Show InChI InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	DrugBank Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50411584 (CHEMBL245389) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2CCOc12)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H28N6O4S/c1-4-5-17-18-19(27(3)25-17)22(29)24-21(23-18)16-13-15(12-14-6-11-32-20(14)16)33(30,31)28-9-7-26(2)8-10-28/h12-13H,4-11H2,1-3H3,(H,23,24,29)	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	239	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50411583 (CHEMBL245789) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2OCOc12)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C22H28N6O6S/c1-3-4-16-18-19(26(2)25-16)22(30)24-21(23-18)15-11-14(12-17-20(15)34-13-33-17)35(31,32)28-7-5-27(6-8-28)9-10-29/h11-12,29H,3-10,13H2,1-2H3,(H,23,24,30)	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	331	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase (Homo sapiens (Human))	BDBM50411585 (CHEMBL247190) Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(cc2OCOc12)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H26N6O5S/c1-4-5-15-17-18(26(3)24-15)21(28)23-20(22-17)14-10-13(11-16-19(14)32-12-31-16)33(29,30)27-8-6-25(2)7-9-27/h10-11H,4-9,12H2,1-3H3,(H,22,23,28)	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	426	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of PDE5				Bioorg Med Chem Lett 17: 4271-4 (2007) Article DOI: 10.1016/j.bmcl.2007.05.064 BindingDB Entry DOI: 10.7270/Q289172C
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50241365 ((R)-9-methyl-3-((2-methyl-1H-imidazol-1-yl)methyl)...) Show SMILES Cc1nccn1C[C@H]1CCc2c(C1=O)c1ccccc1n2C |r| Show InChI InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	810	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50140257 (5,7-Dihydroxy-8-methoxy-2-phenyl-chromen-4-one | 5...) Show SMILES COc1c(O)cc(O)c2c1oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C16H12O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-8,17,19H,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50257785 (5,7-diacetylflavone | CHEMBL493969) Show SMILES CC(=O)c1cc(C(C)=O)c2c(c1)oc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C19H14O4/c1-11(20)14-8-15(12(2)21)19-16(22)10-17(23-18(19)9-14)13-6-4-3-5-7-13/h3-10H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2 (unknown origin)				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50257725 (2,3-dimethoxy-2'-hydroxychalcone | CHEMBL492959) Show SMILES COc1cccc(\C=C\C(=O)c2ccccc2O)c1OC Show InChI InChI=1S/C17H16O4/c1-20-16-9-5-6-12(17(16)21-2)10-11-15(19)13-7-3-4-8-14(13)18/h3-11,18H,1-2H3/b11-10+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50241204 ((E)-3-(4-(benzyloxy)phenyl)-1-(2-hydroxyphenyl)pro...) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C22H18O3/c23-21-9-5-4-8-20(21)22(24)15-12-17-10-13-19(14-11-17)25-16-18-6-2-1-3-7-18/h1-15,23H,16H2/b15-12+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50257724 (3,4-dibenzyloxy-2'-hydroxychalcone | CHEMBL492554) Show SMILES Oc1ccccc1C(=O)\C=C\c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 Show InChI InChI=1S/C29H24O4/c30-26-14-8-7-13-25(26)27(31)17-15-22-16-18-28(32-20-23-9-3-1-4-10-23)29(19-22)33-21-24-11-5-2-6-12-24/h1-19,30H,20-21H2/b17-15+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Mus musculus (Mouse))	BDBM50257726 (2'-hydroxy-3,4,5-trimethoxychalcone | CHEMBL521653) Show SMILES COc1cc(\C=C\C(=O)c2ccccc2O)cc(OC)c1OC Show InChI InChI=1S/C18H18O5/c1-21-16-10-12(11-17(22-2)18(16)23-3)8-9-15(20)13-6-4-5-7-14(13)19/h4-11,19H,1-3H3/b9-8+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Medicine and Pharmacy at Ho Chi Minh City Curated by ChEMBL					Assay Description Inhibition of COX2-mediated PGE2 production in LPS-stimulated mouse RAW264.7 cells by enzyme immunoassay				Bioorg Med Chem Lett 19: 1650-3 (2009) Article DOI: 10.1016/j.bmcl.2009.02.001 BindingDB Entry DOI: 10.7270/Q28052HJ
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50012957 (1-((p-(2-(5-chloro-o-anisamido)ethyl)phenyl)sulfon...) Show SMILES COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1 Show InChI InChI=1S/C23H28ClN3O5S/c1-32-21-12-9-17(24)15-20(21)22(28)25-14-13-16-7-10-19(11-8-16)33(30,31)27-23(29)26-18-5-3-2-4-6-18/h7-12,15,18H,2-6,13-14H2,1H3,(H,25,28)(H2,26,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Vienna Curated by ChEMBL					Assay Description Inhibition of human ERG potassium channel				Bioorg Med Chem 16: 4107-19 (2008) Article DOI: 10.1016/j.bmc.2008.01.017 BindingDB Entry DOI: 10.7270/Q23T9J4N
					More data for this Ligand-Target Pair