Compile Data Set for Download or QSAR
Found 17 Enz. Inhib. hit(s) with all data for entry = 50044900
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035609(CHEMBL3338455)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCc3ccccc3C2)cc1Cl
Show InChI InChI=1S/C31H31ClN4O5/c1-38-25-10-9-19(13-24(25)32)16-33-30-23(28(37)22-14-26(39-2)29(41-4)27(15-22)40-3)17-34-31(35-30)36-12-11-20-7-5-6-8-21(20)18-36/h5-10,13-15,17H,11-12,16,18H2,1-4H3,(H,33,34,35)
Affinity DataIC50: 0.0530nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035620(CHEMBL3338445)
Show SMILES COc1ccc(CNc2nc(OCc3ccccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C28H27ClN4O6/c1-35-22-9-8-17(11-21(22)29)14-31-27-20(15-32-28(33-27)39-16-19-7-5-6-10-30-19)25(34)18-12-23(36-2)26(38-4)24(13-18)37-3/h5-13,15H,14,16H2,1-4H3,(H,31,32,33)
Affinity DataIC50: 0.130nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035617(CHEMBL3338448)
Show SMILES COc1ccc(CNc2nc(OCc3ccccc3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C29H28ClN3O6/c1-35-23-11-10-19(12-22(23)30)15-31-28-21(16-32-29(33-28)39-17-18-8-6-5-7-9-18)26(34)20-13-24(36-2)27(38-4)25(14-20)37-3/h5-14,16H,15,17H2,1-4H3,(H,31,32,33)
Affinity DataIC50: 0.380nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035621(CHEMBL3338444)
Show SMILES COc1ccc(CNc2cc(OCc3ccccn3)ccc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C30H29ClN2O6/c1-35-26-11-8-19(13-24(26)31)17-33-25-16-22(39-18-21-7-5-6-12-32-21)9-10-23(25)29(34)20-14-27(36-2)30(38-4)28(15-20)37-3/h5-16,33H,17-18H2,1-4H3
Affinity DataIC50: 0.660nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035613(CHEMBL3338452)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C27H31ClN4O5/c1-34-21-9-8-17(12-20(21)28)15-29-26-19(16-30-27(31-26)32-10-6-5-7-11-32)24(33)18-13-22(35-2)25(37-4)23(14-18)36-3/h8-9,12-14,16H,5-7,10-11,15H2,1-4H3,(H,29,30,31)
Affinity DataIC50: 0.740nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50100662(CHEMBL553371 | CHEMBL77971 | methyl 2-(4-aminophen...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C32H29N3O7/c1-38-26-15-19(16-27(39-2)30(26)40-3)28-24-13-12-23(42-18-21-7-5-6-14-34-21)17-25(24)31(36)35(29(28)32(37)41-4)22-10-8-20(33)9-11-22/h5-17H,18,33H2,1-4H3
Affinity DataIC50: 1nMAssay Description:Inhibition of PDE5 (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035611(CHEMBL3338453)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOCC2)cc1Cl
Show InChI InChI=1S/C26H29ClN4O6/c1-33-20-6-5-16(11-19(20)27)14-28-25-18(15-29-26(30-25)31-7-9-37-10-8-31)23(32)17-12-21(34-2)24(36-4)22(13-17)35-3/h5-6,11-13,15H,7-10,14H2,1-4H3,(H,28,29,30)
Affinity DataIC50: 1.5nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035618(CHEMBL3338447)
Show SMILES COc1ccc(COc2nc(OCc3ccccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C28H26ClN3O7/c1-34-22-9-8-17(11-21(22)29)15-38-27-20(14-31-28(32-27)39-16-19-7-5-6-10-30-19)25(33)18-12-23(35-2)26(37-4)24(13-18)36-3/h5-14H,15-16H2,1-4H3
Affinity DataIC50: 1.5nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Mitsubishi Tanabe Pharma Corporation

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: 1.60nMAssay Description:Inhibition of PDE5 (unknown origin)More data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035615(CHEMBL3338450)
Show SMILES COCCOc1ncc(C(=O)c2cc(OC)c(OC)c(OC)c2)c(NCc2ccc(OC)c(Cl)c2)n1
Show InChI InChI=1S/C25H28ClN3O7/c1-31-8-9-36-25-28-14-17(22(30)16-11-20(33-3)23(35-5)21(12-16)34-4)24(29-25)27-13-15-6-7-19(32-2)18(26)10-15/h6-7,10-12,14H,8-9,13H2,1-5H3,(H,27,28,29)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035610(CHEMBL3338454)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N2CCOC(CO)C2)cc1Cl
Show InChI InChI=1S/C27H31ClN4O7/c1-35-21-6-5-16(9-20(21)28)12-29-26-19(13-30-27(31-26)32-7-8-39-18(14-32)15-33)24(34)17-10-22(36-2)25(38-4)23(11-17)37-3/h5-6,9-11,13,18,33H,7-8,12,14-15H2,1-4H3,(H,29,30,31)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035652(CHEMBL3338443)
Show SMILES COC(=O)c1nc(N2CCC(O)CC2)c2cc(OCc3ccccc3)ccc2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C32H34N2O7/c1-37-26-16-21(17-27(38-2)30(26)39-3)28-24-11-10-23(41-19-20-8-6-5-7-9-20)18-25(24)31(33-29(28)32(36)40-4)34-14-12-22(35)13-15-34/h5-11,16-18,22,35H,12-15,19H2,1-4H3
Affinity DataIC50: 2nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035614(CHEMBL3338451)
Show SMILES COc1ccc(CNc2nc(ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)N(C)CCO)cc1Cl
Show InChI InChI=1S/C25H29ClN4O6/c1-30(8-9-31)25-28-14-17(22(32)16-11-20(34-3)23(36-5)21(12-16)35-4)24(29-25)27-13-15-6-7-19(33-2)18(26)10-15/h6-7,10-12,14,31H,8-9,13H2,1-5H3,(H,27,28,29)
Affinity DataIC50: 2.70nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035616(CHEMBL3338449)
Show SMILES COc1ccc(CNc2nc(OCc3ncccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C27H26ClN5O6/c1-35-20-7-6-16(10-19(20)28)13-31-26-18(14-32-27(33-26)39-15-23-29-8-5-9-30-23)24(34)17-11-21(36-2)25(38-4)22(12-17)37-3/h5-12,14H,13,15H2,1-4H3,(H,31,32,33)
Affinity DataIC50: 3.40nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035653(CHEMBL3338442)
Show SMILES COC(=O)c1nc(NCc2ccc(OC)c(Cl)c2)c2cc(OCc3ccccc3)ccc2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C35H33ClN2O7/c1-40-28-14-11-22(15-27(28)36)19-37-34-26-18-24(45-20-21-9-7-6-8-10-21)12-13-25(26)31(32(38-34)35(39)44-5)23-16-29(41-2)33(43-4)30(17-23)42-3/h6-18H,19-20H2,1-5H3,(H,37,38)
Affinity DataIC50: 3.5nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035619(CHEMBL3338446)
Show SMILES COc1ccc(CN(C)c2nc(OCc3ccccn3)ncc2C(=O)c2cc(OC)c(OC)c(OC)c2)cc1Cl
Show InChI InChI=1S/C29H29ClN4O6/c1-34(16-18-9-10-23(36-2)22(30)12-18)28-21(15-32-29(33-28)40-17-20-8-6-7-11-31-20)26(35)19-13-24(37-3)27(39-5)25(14-19)38-4/h6-15H,16-17H2,1-5H3
Affinity DataIC50: 5nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Canis lupus familiaris)
Mitsubishi Tanabe Pharma Corporation

Curated by ChEMBL
LigandPNGBDBM50035654(CHEMBL3338441)
Show SMILES COC(=O)c1ncc2cc(OCc3ccccn3)ccc2c1-c1cc(OC)c(OC)c(OC)c1
Show InChI InChI=1S/C26H24N2O6/c1-30-21-12-16(13-22(31-2)25(21)32-3)23-20-9-8-19(34-15-18-7-5-6-10-27-18)11-17(20)14-28-24(23)26(29)33-4/h5-14H,15H2,1-4H3
Affinity DataIC50: 34nMAssay Description:Inhibition of canine lung PDE5 using [3H]cGMP substrate by radiolabeled nucleotide methodMore data for this Ligand-Target Pair