Compile Data Set for Download or QSAR
Found 55 Enz. Inhib. hit(s) with all data for entry = 50030683
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.80nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300112(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300112(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
Affinity DataIC50: 1.90nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300099(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300099(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300099(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300099(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300109(CHEMBL575791 | trans-1-cyclopentyl-6-(1-((1,3-dime...)
Show SMILES C[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300107(CHEMBL578033 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300110(CHEMBL583064 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cc(C)on2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C20H26N6O2/c1-12-9-25(10-14-7-13(2)28-24-14)11-17(12)18-22-19-16(20(27)23-18)8-21-26(19)15-5-3-4-6-15/h7-8,12,15,17H,3-6,9-11H2,1-2H3,(H,22,23,27)/t12-,17-/m1/s1
Affinity DataIC50: 11nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300111(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300111(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
Affinity DataIC50: 12nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300108(CHEMBL575790 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300106(CHEMBL574449 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)C(F)(F)F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-14-6-7-18(26-8-14)22(23,24)25)12-17(13)19-28-20-16(21(32)29-19)9-27-31(20)15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,28,29,32)/t13-,17-/m1/s1
Affinity DataIC50: 16nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300105(CHEMBL575775 | trans-1-cyclopentyl-6-(1-((6-methox...)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cn1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
Affinity DataIC50: 29nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300103(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300103(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
Affinity DataIC50: 40nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 50nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300102(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
Affinity DataIC50: 63nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300102(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
Affinity DataIC50: 63nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300101(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
Affinity DataIC50: 66nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300101(6-[(3,4-trans)-1-benzyl-4-methylpyrrolidin-3-yl]-1...)
Show SMILES CC(C)n1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
Affinity DataIC50: 66nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300112(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
Affinity DataIC50: 73nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300112(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
Affinity DataIC50: 73nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300110(CHEMBL583064 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cc(C)on2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C20H26N6O2/c1-12-9-25(10-14-7-13(2)28-24-14)11-17(12)18-22-19-16(20(27)23-18)8-21-26(19)15-5-3-4-6-15/h7-8,12,15,17H,3-6,9-11H2,1-2H3,(H,22,23,27)/t12-,17-/m1/s1
Affinity DataIC50: 110nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300100(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
Affinity DataIC50: 150nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300100(CHEMBL576952 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES CC(C)Cn1ncc2c1nc([nH]c2=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1C
Show InChI InChI=1S/C21H27N5O/c1-14(2)10-26-20-17(9-22-26)21(27)24-19(23-20)18-13-25(11-15(18)3)12-16-7-5-4-6-8-16/h4-9,14-15,18H,10-13H2,1-3H3,(H,23,24,27)/t15-,18-/m1/s1
Affinity DataIC50: 150nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300106(CHEMBL574449 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)C(F)(F)F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-14-6-7-18(26-8-14)22(23,24)25)12-17(13)19-28-20-16(21(32)29-19)9-27-31(20)15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,28,29,32)/t13-,17-/m1/s1
Affinity DataIC50: 195nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300109(CHEMBL575791 | trans-1-cyclopentyl-6-(1-((1,3-dime...)
Show SMILES C[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
Affinity DataIC50: 195nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300104(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetHigh affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300104(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
Affinity DataIC50: 200nMAssay Description:Inhibition of human recombinant PDE9A expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300108(CHEMBL575790 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
Affinity DataIC50: 209nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300111(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
Affinity DataIC50: 220nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300111(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
Affinity DataIC50: 220nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300105(CHEMBL575775 | trans-1-cyclopentyl-6-(1-((6-methox...)
Show SMILES COc1ccc(CN2C[C@@H](C)[C@@H](C2)c2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cn1
Show InChI InChI=1S/C22H28N6O2/c1-14-11-27(12-15-7-8-19(30-2)23-9-15)13-18(14)20-25-21-17(22(29)26-20)10-24-28(21)16-5-3-4-6-16/h7-10,14,16,18H,3-6,11-13H2,1-2H3,(H,25,26,29)/t14-,18-/m1/s1
Affinity DataIC50: 269nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetcGMP-specific 3',5'-cyclic phosphodiesterase(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 349nMAssay Description:Inhibition of PDE5More data for this Ligand-Target Pair
LigandPNGBDBM50300107(CHEMBL578033 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)nc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-7-22-14(2)23-8-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
Affinity DataIC50: 407nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300103(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
Affinity DataIC50: 563nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300103(CHEMBL575745 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cccc(C)c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H29N5O/c1-15-6-5-7-17(10-15)13-27-12-16(2)20(14-27)21-25-22-19(23(29)26-21)11-24-28(22)18-8-3-4-9-18/h5-7,10-11,16,18,20H,3-4,8-9,12-14H2,1-2H3,(H,25,26,29)/t16-,20-/m1/s1
Affinity DataIC50: 563nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300102(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
Affinity DataIC50: 970nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
LigandPNGBDBM50300102(CHEMBL572747 | trans-6-(1-benzyl-4-methylpyrrolidi...)
Show SMILES C[C@@H]1CN(Cc2ccccc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H27N5O/c1-15-12-26(13-16-7-3-2-4-8-16)14-19(15)20-24-21-18(22(28)25-20)11-23-27(21)17-9-5-6-10-17/h2-4,7-8,11,15,17,19H,5-6,9-10,12-14H2,1H3,(H,24,25,28)/t15-,19-/m1/s1
Affinity DataIC50: 970nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
TargetcAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE10More data for this Ligand-Target Pair
TargetDual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE11More data for this Ligand-Target Pair
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE8BMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 7B(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE7BMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4C(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE4CMore data for this Ligand-Target Pair
TargetcGMP-inhibited 3',5'-cyclic phosphodiesterase 3A(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50300113(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of PDE3AMore data for this Ligand-Target Pair
LigandPNGBDBM50300104(CHEMBL582856 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccccn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H26N6O/c1-14-11-26(12-15-6-4-5-9-22-15)13-18(14)19-24-20-17(21(28)25-19)10-23-27(20)16-7-2-3-8-16/h4-6,9-10,14,16,18H,2-3,7-8,11-13H2,1H3,(H,24,25,28)/t14-,18-/m1/s1
Affinity DataIC50: 1.30E+3nMAssay Description:Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPAMore data for this Ligand-Target Pair
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