Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50048519 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 |
|---|
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)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) | PDB
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| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)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) | PDB
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219407
(CHEMBL84350)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16| 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 | PDB
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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219414
(CHEMBL79661)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C16H15Cl2N3O3S/c1-24-11-3-4-12-10(5-11)9-21(25(2,22)23)20-16(12)6-13-14(17)7-19-8-15(13)18/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219411
(CHEMBL82934)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16| Show InChI InChI=1S/C16H14Cl2N4O2/c1-24-10-2-3-11-9(4-10)8-22(16(19)23)21-15(11)5-12-13(17)6-20-7-14(12)18/h2-4,6-7H,5,8H2,1H3,(H2,19,23) | PDB
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| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219417
(CHEMBL421343)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16| Show InChI InChI=1S/C22H23Cl2N3O3/c1-13(28)27-12-17-15(20(26-27)9-16-18(23)10-25-11-19(16)24)7-8-21(29-2)22(17)30-14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,12H2,1-2H3 | PDB
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| 128 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219409
(CHEMBL354743)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C=O |c:16| Show InChI InChI=1S/C16H13Cl2N3O2/c1-23-11-2-3-12-10(4-11)8-21(9-22)20-16(12)5-13-14(17)6-19-7-15(13)18/h2-4,6-7,9H,5,8H2,1H3 | PDB
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| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218260
(CHEMBL70391)Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3 | PDB
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| 149 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219404
(CHEMBL79739)Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H15Cl2N3O3/c1-24-11-3-4-12-10(5-11)9-22(17(23)25-2)21-16(12)6-13-14(18)7-20-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 199 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219406
(CHEMBL309420)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16| Show InChI InChI=1S/C16H14Cl2N4O3/c1-25-10-2-3-11-9(4-10)8-22(16(23)21-24)20-15(11)5-12-13(17)6-19-7-14(12)18/h2-4,6-7,24H,5,8H2,1H3,(H,21,23) | PDB
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| 208 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219413
(CHEMBL81226)Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28| Show InChI InChI=1S/C19H17Cl2N3O4/c1-3-28-19(26)18(25)24-10-11-6-12(27-2)4-5-13(11)17(23-24)7-14-15(20)8-22-9-16(14)21/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| 212 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219405
(CHEMBL81020)Show SMILES CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-10-5-11(25-2)3-4-12(10)16(22-23)6-13-14(18)7-21-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3,(H,20,24) | PDB
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| 235 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219410
(CHEMBL311025)Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C18H17Cl2N3O2/c1-3-18(24)23-10-11-6-12(25-2)4-5-13(11)17(22-23)7-14-15(19)8-21-9-16(14)20/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| 237 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219408
(CHEMBL84115)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16| Show InChI InChI=1S/C17H15Cl2N3O2/c1-10(23)22-9-11-5-12(24-2)3-4-13(11)17(21-22)6-14-15(18)7-20-8-16(14)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| 397 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219416
(CHEMBL167389)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)N(C)C |c:16| Show InChI InChI=1S/C18H18Cl2N4O2/c1-23(2)18(25)24-10-11-6-12(26-3)4-5-13(11)17(22-24)7-14-15(19)8-21-9-16(14)20/h4-6,8-9H,7,10H2,1-3H3 | PDB
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| 473 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219412
(CHEMBL82882)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16| Show InChI InChI=1S/C19H19Cl2N3O2/c1-11(2)19(25)24-10-12-6-13(26-3)4-5-14(12)18(23-24)7-15-16(20)8-22-9-17(15)21/h4-6,8-9,11H,7,10H2,1-3H3 | PDB
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| 498 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site (RBS) of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14775
(3-(cyclopentyloxy)-N-(3,5-dichloropyridin-4-yl)-4-...)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) | PDB
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| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219407
(CHEMBL84350)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)S(C)(=O)=O |c:16| 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 | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219418
(CHEMBL450274)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)Cc1ccccc1 |c:16| Show InChI InChI=1S/C23H19Cl2N3O2/c1-30-17-7-8-18-16(10-17)14-28(23(29)9-15-5-3-2-4-6-15)27-22(18)11-19-20(24)12-26-13-21(19)25/h2-8,10,12-13H,9,11,14H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219414
(CHEMBL79661)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)S(C)(=O)=O |c:16| Show InChI InChI=1S/C16H15Cl2N3O3S/c1-24-11-3-4-12-10(5-11)9-21(25(2,22)23)20-16(12)6-13-14(17)7-19-8-15(13)18/h3-5,7-8H,6,9H2,1-2H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219412
(CHEMBL82882)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)C(C)C |c:16| Show InChI InChI=1S/C19H19Cl2N3O2/c1-11(2)19(25)24-10-12-6-13(26-3)4-5-14(12)18(23-24)7-15-16(20)8-22-9-17(15)21/h4-6,8-9,11H,7,10H2,1-3H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219410
(CHEMBL311025)Show SMILES CCC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C18H17Cl2N3O2/c1-3-18(24)23-10-11-6-12(25-2)4-5-13(11)17(22-23)7-14-15(19)8-21-9-16(14)20/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219415
(CHEMBL83872)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)c1ccccc1 |c:16| Show InChI InChI=1S/C22H17Cl2N3O2/c1-29-16-7-8-17-15(9-16)13-27(22(28)14-5-3-2-4-6-14)26-21(17)10-18-19(23)11-25-12-20(18)24/h2-9,11-12H,10,13H2,1H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219417
(CHEMBL421343)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1OC1CCCC1)C(C)=O |c:16| Show InChI InChI=1S/C22H23Cl2N3O3/c1-13(28)27-12-17-15(20(26-27)9-16-18(23)10-25-11-19(16)24)7-8-21(29-2)22(17)30-14-5-3-4-6-14/h7-8,10-11,14H,3-6,9,12H2,1-2H3 | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219411
(CHEMBL82934)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(N)=O |c:16| Show InChI InChI=1S/C16H14Cl2N4O2/c1-24-10-2-3-11-9(4-10)8-22(16(19)23)21-15(11)5-12-13(17)6-20-7-14(12)18/h2-4,6-7H,5,8H2,1H3,(H2,19,23) | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219408
(CHEMBL84115)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(C)=O |c:16| Show InChI InChI=1S/C17H15Cl2N3O2/c1-10(23)22-9-11-5-12(24-2)3-4-13(11)17(21-22)6-14-15(18)7-20-8-16(14)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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| n/a | n/a | 51 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218260
(CHEMBL70391)Show InChI InChI=1S/C20H19Cl2N3O2/c1-26-19-7-6-13-15(20(19)27-12-4-2-3-5-12)9-24-25-18(13)8-14-16(21)10-23-11-17(14)22/h6-7,9-12H,2-5,8H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219404
(CHEMBL79739)Show SMILES COC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H15Cl2N3O3/c1-24-11-3-4-12-10(5-11)9-22(17(23)25-2)21-16(12)6-13-14(18)7-20-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50346088
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)| Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219406
(CHEMBL309420)Show SMILES COc1ccc2C(Cc3c(Cl)cncc3Cl)=NN(Cc2c1)C(=O)NO |c:16| Show InChI InChI=1S/C16H14Cl2N4O3/c1-25-10-2-3-11-9(4-10)8-22(16(23)21-24)20-15(11)5-12-13(17)6-19-7-14(12)18/h2-4,6-7,24H,5,8H2,1H3,(H,21,23) | PDB
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| n/a | n/a | 85 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219413
(CHEMBL81226)Show SMILES CCOC(=O)C(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:28| Show InChI InChI=1S/C19H17Cl2N3O4/c1-3-28-19(26)18(25)24-10-11-6-12(27-2)4-5-13(11)17(23-24)7-14-15(20)8-22-9-16(14)21/h4-6,8-9H,3,7,10H2,1-2H3 | PDB
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| n/a | n/a | 113 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50219405
(CHEMBL81020)Show SMILES CNC(=O)N1Cc2cc(OC)ccc2C(Cc2c(Cl)cncc2Cl)=N1 |c:25| Show InChI InChI=1S/C17H16Cl2N4O2/c1-20-17(24)23-9-10-5-11(25-2)3-4-12(10)16(22-23)6-13-14(18)7-21-8-15(13)19/h3-5,7-8H,6,9H2,1-2H3,(H,20,24) | PDB
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| n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human neutrophil phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14361
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)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) | PDB
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| n/a | n/a | 1.68E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 12: 5-8 (2002)
BindingDB Entry DOI: 10.7270/Q2SB47Z5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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