Compile Data Set for Download or QSAR
Found 1769 Enz. Inhib. hit(s) with Target = 'cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D'
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  0.400nMAssay Description:Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  0.400nMAssay Description:Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50228247(CHEMBL38017 | LY-197055)
Show SMILES CC1CC(=O)NN=C1c1ccc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C15H17N3O2/c1-8-6-12(19)17-18-13(8)9-4-5-11-10(7-9)15(2,3)14(20)16-11/h4-5,7-8H,6H2,1-3H3,(H,16,20)(H,17,19)
Affinity DataKi:  0.540nMAssay Description:Displacement [3H]LY-186,126 from phosphodiesterase 4 of myocardial vesiclesMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  0.850nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  1nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  1nMAssay Description:Inhibition of Rolipram binding to Phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220990(CHEMBL556179)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C30H23N5O4/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19/h3-16,36H,17H2,1-2H3
Affinity DataKi:  1.40nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220984(CHEMBL554636)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4cccs4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C29H22N4O4S/c1-36-23-13-18-12-19(16-34)31-27(22(18)15-24(23)37-2)17-9-10-30-26(14-17)33-29(35)21-7-4-3-6-20(21)28(32-33)25-8-5-11-38-25/h3-15,34H,16H2,1-2H3
Affinity DataKi:  1.40nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220985(CHEMBL553502)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCc5cccnc5)cccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H28N4O5.ClH/c1-39-28-14-22-13-23(18-37)35-31(26(22)16-29(28)40-2)21-8-11-34-30(15-21)36-12-9-24-25(32(36)38)6-3-7-27(24)41-19-20-5-4-10-33-17-20;/h3-12,14-17,23,37H,13,18-19H2,1-2H3;1H/t23-;/m0./s1
Affinity DataKi:  1.5nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  1.5nMAssay Description:Inhibition of human VCAM and Ramos cell VLA-4 interactionMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  1.5nMAssay Description:Inhibition of rolipram binding to Phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14775(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C18H18Cl2N2O3/c1-24-15-7-6-11(8-16(15)25-12-4-2-3-5-12)18(23)22-17-13(19)9-21-10-14(17)20/h6-10,12H,2-5H2,1H3,(H,21,22,23)
Affinity DataKi:  1.5nMAssay Description:Inhibition of rolipram binding to PDE4 from human neutrophilsMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  1.60nMAssay Description:Inhibition of human VCAM and Ramos cell VLA-4 interactionMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  1.60nMAssay Description:Inhibition of rolipram binding to PDE4 from human neutrophilsMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  1.60nMAssay Description:Inhibition of rolipram binding to Phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220988(CHEMBL544766)
Show SMILES Cl.COc1cc2cc(CO)nc(-c3ccnc(c3)-n3nc(-c4nccs4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C28H21N5O4S/c1-36-22-12-17-11-18(15-34)31-25(21(17)14-23(22)37-2)16-7-8-29-24(13-16)33-28(35)20-6-4-3-5-19(20)26(32-33)27-30-9-10-38-27/h3-14,34H,15H2,1-2H3
Affinity DataKi:  1.70nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220989(CHEMBL542299)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3ccc4c(OCCN5CCOCC5)cccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H34N4O6.ClH/c1-39-28-17-22-16-23(20-37)34-31(26(22)19-29(28)40-2)21-6-8-33-30(18-21)36-9-7-24-25(32(36)38)4-3-5-27(24)42-15-12-35-10-13-41-14-11-35;/h3-9,17-19,23,37H,10-16,20H2,1-2H3;1H/t23-;/m0./s1
Affinity DataKi:  1.80nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074893(2-[4-(6,7-Diethoxy-2,3-bis-hydroxymethyl-naphthale...)
Show SMILES CCOc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OCC
Show InChI InChI=1S/C34H30N4O5/c1-3-42-29-15-23-14-24(19-39)28(20-40)32(27(23)17-30(29)43-4-2)21-11-13-36-31(16-21)38-34(41)26-10-6-5-9-25(26)33(37-38)22-8-7-12-35-18-22/h5-18,39-40H,3-4,19-20H2,1-2H3
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]- rolipram binding to guinea pig brainMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074898(2-[4-(3-Hydroxymethyl-6,7-dimethoxy-naphthalen-1-y...)
Show SMILES COc1cc2cc(CO)cc(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H24N4O4/c1-38-27-14-22-12-19(18-36)13-25(26(22)16-28(27)39-2)20-9-11-33-29(15-20)35-31(37)24-8-4-3-7-23(24)30(34-35)21-6-5-10-32-17-21/h3-17,36H,18H2,1-2H3
Affinity DataKi:  3nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220986(CHEMBL542650)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(Cc4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C31H27N5O4.ClH/c1-39-27-14-21-13-22(18-37)34-30(25(21)16-28(27)40-2)20-9-11-33-29(15-20)36-31(38)24-8-4-3-7-23(24)26(35-36)12-19-6-5-10-32-17-19;/h3-11,14-17,22,37H,12-13,18H2,1-2H3;1H/t22-;/m0./s1
Affinity DataKi:  3.10nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074901(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]- rolipram binding to guinea pig brainMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074901(2-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C32H26N4O5/c1-40-27-13-21-12-22(17-37)26(18-38)30(25(21)15-28(27)41-2)19-9-11-34-29(14-19)36-32(39)24-8-4-3-7-23(24)31(35-36)20-6-5-10-33-16-20/h3-16,37-38H,17-18H2,1-2H3
Affinity DataKi:  3.5nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
LigandPNGBDBM50110039(1-[2-(3-Cyclopropylmethoxy-4-methoxy-phenyl)-propy...)
Show SMILES COc1ccc(cc1OCC1CC1)C(C)Cn1cc[nH]c1=O
Show InChI InChI=1S/C17H22N2O3/c1-12(10-19-8-7-18-17(19)20)14-5-6-15(21-2)16(9-14)22-11-13-3-4-13/h5-9,12-13H,3-4,10-11H2,1-2H3,(H,18,20)
Affinity DataKi:  3.5nMAssay Description:Displacement of [3H]rolipram from rat forebrain membraneMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  3.80nMAssay Description:Displacement of [3H]- rolipram binding to guinea pig brainMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  3.80nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50216147(CHEMBL134237)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccc3ccccc3c2)C1=O
Show InChI InChI=1S/C33H34N2O3/c1-37-30-13-12-28(21-31(30)38-29-8-4-5-9-29)33(22-24-14-17-34-18-15-24)16-19-35(32(33)36)23-25-10-11-26-6-2-3-7-27(26)20-25/h2-3,6-7,10-15,17-18,20-21,29H,4-5,8-9,16,19,22-23H2,1H3
Affinity DataKi:  4.30nMAssay Description:Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement.More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  4.5nMAssay Description:Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  4.5nMAssay Description:Inhibition of rolipram binding to Phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM14361((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)
Affinity DataKi:  4.5nMAssay Description:Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50219407(CHEMBL84350)
Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O
Show InChI InChI=1S/C21H23Cl2N3O4S/c1-29-20-8-7-14-16(21(20)30-13-5-3-4-6-13)12-26(31(2,27)28)25-19(14)9-15-17(22)10-24-11-18(15)23/h7-8,10-11,13H,3-6,9,12H2,1-2H3
Affinity DataKi:  5nMAssay Description:Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220992(CHEMBL545700)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cncnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C29H24N6O4.ClH/c1-38-24-10-18-9-20(15-36)33-27(23(18)12-25(24)39-2)17-7-8-32-26(11-17)35-29(37)22-6-4-3-5-21(22)28(34-35)19-13-30-16-31-14-19;/h3-8,10-14,16,20,36H,9,15H2,1-2H3;1H/t20-;/m0./s1
Affinity DataKi:  5.40nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50228246(Indolidan)
Show SMILES CC1(C)C(=O)Nc2ccc(cc12)C1=NNC(=O)CC1
Show InChI InChI=1S/C14H15N3O2/c1-14(2)9-7-8(3-4-11(9)15-13(14)19)10-5-6-12(18)17-16-10/h3-4,7H,5-6H2,1-2H3,(H,15,19)(H,17,18)
Affinity DataKi:  5.40nMAssay Description:Displacement [3H]LY-186,126 from phosphodiesterase 4 of myocardial vesiclesMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50074889(1-[4-(2,3-Bis-hydroxymethyl-6,7-dimethoxy-naphthal...)
Show SMILES COc1cc2cc(CO)c(CO)c(-c3ccnc(c3)-n3c4ccccc4ccc3=O)c2cc1OC
Show InChI InChI=1S/C28H24N2O5/c1-34-24-12-19-11-20(15-31)22(16-32)28(21(19)14-25(24)35-2)18-9-10-29-26(13-18)30-23-6-4-3-5-17(23)7-8-27(30)33/h3-14,31-32H,15-16H2,1-2H3
Affinity DataKi:  6.20nMAssay Description:Displacement of [3H]- rolipram binding to guinea pig brainMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50220991(CHEMBL539265)
Show SMILES Cl.COc1cc2C[C@@H](CO)N=C(c3ccnc(c3)-n3nc(-c4cccnc4)c4ccccc4c3=O)c2cc1OC
Show InChI InChI=1S/C30H25N5O4.ClH/c1-38-25-13-20-12-21(17-36)33-28(24(20)15-26(25)39-2)18-9-11-32-27(14-18)35-30(37)23-8-4-3-7-22(23)29(34-35)19-6-5-10-31-16-19;/h3-11,13-16,21,36H,12,17H2,1-2H3;1H/t21-;/m0./s1
Affinity DataKi:  6.5nMAssay Description:Inhibition of rolipram binding to phosphodiesterase 4More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50215950(CHEMBL55046)
Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl
Show InChI InChI=1S/C26H19Cl2N3O/c1-16-14-31(15-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32)
Affinity DataKi:  7nMAssay Description:Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50215392(CHEMBL131565)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(C(=O)OC(C)(C)C)C1=O
Show InChI InChI=1S/C27H34N2O5/c1-26(2,3)34-25(31)29-16-13-27(24(29)30,18-19-11-14-28-15-12-19)20-9-10-22(32-4)23(17-20)33-21-7-5-6-8-21/h9-12,14-15,17,21H,5-8,13,16,18H2,1-4H3
Affinity DataKi:  7.5nMAssay Description:Affinity for phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement.More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471876(CHEMBL134441)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H25NO4/c1-31-23-11-10-19(16-24(23)32-20-6-2-3-7-20)27(17-18-12-14-28-15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3
Affinity DataKi:  10nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM14361((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)
Affinity DataKi:  11nMAssay Description:Inhibition of [3H]rolipram binding to Phosphodiesterase 4 of rat forebrain membraneMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50214362(CHEMBL102635)
Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C23H25Cl2N3O2/c1-15-12-27(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)26-22-19(24)13-28(30)14-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,29)
Affinity DataKi:  12nMAssay Description:Affinity for rolipram binding site of phosphodiesterase type IV (PDE4)More data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50218261(CHEMBL74631)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OCCCCCc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-32-25-12-11-19-21(15-30-31-24(19)14-20-22(27)16-29-17-23(20)28)26(25)33-13-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,11-12,15-17H,3,6-7,10,13-14H2,1H3
Affinity DataKi:  13nMAssay Description:Inhibition of rolipram binding to PDE4 from human neutrophilsMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50215947(CHEMBL53710)
Show SMILES COc1ccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cc1
Show InChI InChI=1S/C23H19Cl2N3O2/c1-14-12-28(13-15-3-6-17(30-2)7-4-15)21-9-16(5-8-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29)
Affinity DataKi:  13nMAssay Description:Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assayMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50218265(CHEMBL308407)
Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nncc2c1OC1Cc2ccccc2C1
Show InChI InChI=1S/C24H19Cl2N3O2/c1-30-23-7-6-17-19(24(23)31-16-8-14-4-2-3-5-15(14)9-16)11-28-29-22(17)10-18-20(25)12-27-13-21(18)26/h2-7,11-13,16H,8-10H2,1H3
Affinity DataKi:  16nMAssay Description:Inhibition of rolipram binding to PDE4 from human neutrophilsMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50218578(CHEMBL79902)
Show SMILES COc1ccc2c(Cc3c(Cl)c[n+]([O-])cc3Cl)nnc(-c3nccs3)c2c1
Show InChI InChI=1S/C18H12Cl2N4O2S/c1-26-10-2-3-11-12(6-10)17(18-21-4-5-27-18)23-22-16(11)7-13-14(19)8-24(25)9-15(13)20/h2-6,8-9H,7H2,1H3
Affinity DataKi:  17nMAssay Description:Affinity for alpha4-beta1 integrin from HL60 cell lysateMore data for this Ligand-Target Pair
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471867(CHEMBL135621)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471873(CHEMBL334488)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc2C1=O
Show InChI InChI=1S/C38H43N3O6/c1-45-33-12-9-27(23-34(33)46-29-7-3-4-8-29)38(25-26-13-17-39-18-14-26)35(42)31-11-10-30(24-32(31)36(38)43)47-37(44)41-21-15-28(16-22-41)40-19-5-2-6-20-40/h9-14,17-18,23-24,28-29H,2-8,15-16,19-22,25H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471871(CHEMBL135304)
Show SMILES CCOc1ccc2C(=O)C(Cc3ccncc3)(C(=O)c2c1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C29H29NO5/c1-3-34-22-9-10-23-24(17-22)28(32)29(27(23)31,18-19-12-14-30-15-13-19)20-8-11-25(33-2)26(16-20)35-21-6-4-5-7-21/h8-17,21H,3-7,18H2,1-2H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471872(CHEMBL134261)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCC(O)=O)cc2C1=O
Show InChI InChI=1S/C29H27NO7/c1-35-24-9-6-19(14-25(24)37-20-4-2-3-5-20)29(16-18-10-12-30-13-11-18)27(33)22-8-7-21(36-17-26(31)32)15-23(22)28(29)34/h6-15,20H,2-5,16-17H2,1H3,(H,31,32)
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471867(CHEMBL135621)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471867(CHEMBL135621)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)C(=O)c2ccc(OCc3ccccc3)cc2C1=O
Show InChI InChI=1S/C34H31NO5/c1-38-30-14-11-25(19-31(30)40-26-9-5-6-10-26)34(21-23-15-17-35-18-16-23)32(36)28-13-12-27(20-29(28)33(34)37)39-22-24-7-3-2-4-8-24/h2-4,7-8,11-20,26H,5-6,9-10,21-22H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetcAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D(Homo sapiens (Human))
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Curated by ChEMBL
LigandPNGBDBM50471861(CHEMBL423897)
Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2cc[n+]([O-])cc2)C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C27H25NO5/c1-32-23-11-10-19(16-24(23)33-20-6-2-3-7-20)27(17-18-12-14-28(31)15-13-18)25(29)21-8-4-5-9-22(21)26(27)30/h4-5,8-16,20H,2-3,6-7,17H2,1H3
Affinity DataKi:  20nMAssay Description:Binding affinity at Phosphodiesterase 4 by measuring displacement of (+/-)-[3H]- Rolipram to guinea pig brain membranes.More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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