Compile Data Set for Download or QSAR
Found 20 Enz. Inhib. hit(s) with all data for entry = 50014541
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241303(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)
Affinity DataIC50: 0.170nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241300(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)
Affinity DataIC50: 0.180nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50144215(CHEMBL63548 | {4-[3-(1-Methyl-7-oxo-3-propyl-6,7-d...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CP(O)(O)=O)CC1
Show InChI InChI=1S/C23H33N6O7PS/c1-4-6-18-20-21(27(3)26-18)23(30)25-22(24-20)17-14-16(7-8-19(17)36-13-5-2)38(34,35)29-11-9-28(10-12-29)15-37(31,32)33/h7-8,14H,4-6,9-13,15H2,1-3H3,(H,24,25,30)(H2,31,32,33)
Affinity DataIC50: 0.280nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241301((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)
Affinity DataIC50: 0.280nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50144213((2-{1-[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)N1CCC(CCP(O)(=O)OCC)CC1
Show InChI InChI=1S/C27H40N5O7PS/c1-5-8-22-24-25(31(4)30-22)27(33)29-26(28-24)21-18-20(9-10-23(21)38-16-6-2)41(36,37)32-14-11-19(12-15-32)13-17-40(34,35)39-7-3/h9-10,18-19H,5-8,11-17H2,1-4H3,(H,34,35)(H,28,29,33)
Affinity DataIC50: 0.290nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241302(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)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241310((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)
Affinity DataIC50: 0.320nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241307(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)
Affinity DataIC50: 0.340nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241306(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)
Affinity DataIC50: 0.410nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50144220(CHEMBL63686 | diethyl (4-(3-(1-methyl-7-oxo-3-prop...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)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)
Affinity DataIC50: 0.580nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241309(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)
Affinity DataIC50: 0.700nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241308((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)
Affinity DataIC50: 0.940nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241305((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)
Affinity DataIC50: 1.10nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM14390(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)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of phosphodiesterase 5 of rabbit plateletsMore data for this Ligand-Target Pair
TargetP04972/P11541/P16586/P22571/P23439/Q95142(Bos taurus)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241303(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)
Affinity DataIC50: 2.60nMAssay Description:Inhibition of phosphodiesterase 6 from bovine retinaMore data for this Ligand-Target Pair
TargetP04972/P11541/P16586/P22571/P23439/Q95142(Bos taurus)
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM14390(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)
Affinity DataIC50: 20nMAssay Description:Inhibition of phosphodiesterase 6 from bovine retinaMore data for this Ligand-Target Pair
LigandPNGBDBM50241303(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)
Affinity DataIC50: 156nMAssay Description:Inhibition of phosphodiesterase 1 from bovine heartMore data for this Ligand-Target Pair
LigandPNGBDBM14390(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)
Affinity DataIC50: 739nMAssay Description:Inhibition of phosphodiesterase 1 from bovine heartMore data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM50241303(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)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of phosphodiesterase 3 from rabbit plateletsMore data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B(Homo sapiens (Human))
Ewha Womans University

Curated by ChEMBL
LigandPNGBDBM14390(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)
Affinity DataIC50: 1.46E+4nMAssay Description:Inhibition of phosphodiesterase 3 from rabbit plateletsMore data for this Ligand-Target Pair