Found 15 hits of Enzyme Inhibition Constant Data 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 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of Rolipram binding to Phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
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 |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216232
(CHEMBL93823)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C1CC1 Show InChI InChI=1S/C17H14Cl2N4O2/c1-25-12-5-4-9(13-15(12)22-16(21-13)8-2-3-8)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,2-3H2,1H3,(H,21,22)(H,20,23,24) | PDB
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Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216233
(CHEMBL330055)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(CCc3ccccc3)nc12 Show InChI InChI=1S/C22H18Cl2N4O2/c1-30-17-9-8-14(22(29)28-20-15(23)11-25-12-16(20)24)19-21(17)27-18(26-19)10-7-13-5-3-2-4-6-13/h2-6,8-9,11-12H,7,10H2,1H3,(H,26,27)(H,25,28,29) | PDB
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| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216234
(CHEMBL89931)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(Cc3ccccc3)nc12 Show InChI InChI=1S/C21H16Cl2N4O2/c1-29-16-8-7-13(21(28)27-19-14(22)10-24-11-15(19)23)18-20(16)26-17(25-18)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,25,26)(H,24,27,28) | PDB
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| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216229
(CHEMBL329556)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C(C)C Show InChI InChI=1S/C17H16Cl2N4O2/c1-8(2)16-21-13-9(4-5-12(25-3)15(13)22-16)17(24)23-14-10(18)6-20-7-11(14)19/h4-8H,1-3H3,(H,21,22)(H,20,23,24) | PDB
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| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216293
(CHEMBL94009)Show SMILES COc1ccc(C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)c2[nH]c(nc12)C(C)C Show InChI InChI=1S/C17H16Cl2N4O3/c1-8(2)16-20-13-9(4-5-12(26-3)15(13)21-16)17(24)22-14-10(18)6-23(25)7-11(14)19/h4-8H,1-3H3,(H,20,21)(H,22,24) | PDB
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Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216294
(CHEMBL449708)Show SMILES COCc1nc2c(OC)ccc(C(=O)Nc3c(Cl)cncc3Cl)c2[nH]1 Show InChI InChI=1S/C16H14Cl2N4O3/c1-24-7-12-20-13-8(3-4-11(25-2)15(13)21-12)16(23)22-14-9(17)5-19-6-10(14)18/h3-6H,7H2,1-2H3,(H,20,21)(H,19,22,23) | PDB
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| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216228
(CHEMBL94255)Show SMILES COCc1nc2c(OC)ccc(C(=O)Nc3c(Cl)c[n+]([O-])cc3Cl)c2[nH]1 Show InChI InChI=1S/C16H14Cl2N4O4/c1-25-7-12-19-13-8(3-4-11(26-2)15(13)20-12)16(23)21-14-9(17)5-22(24)6-10(14)18/h3-6H,7H2,1-2H3,(H,19,20)(H,21,23) | PDB
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| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216231
(CHEMBL329155)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(nc12)C1CCCC1 Show InChI InChI=1S/C19H18Cl2N4O2/c1-27-14-7-6-11(19(26)25-16-12(20)8-22-9-13(16)21)15-17(14)24-18(23-15)10-4-2-3-5-10/h6-10H,2-5H2,1H3,(H,23,24)(H,22,25,26) | PDB
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Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216230
(CHEMBL93327)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2[nH]c(C)nc12 Show InChI InChI=1S/C15H12Cl2N4O2/c1-7-19-12-8(3-4-11(23-2)14(12)20-7)15(22)21-13-9(16)5-18-6-10(13)17/h3-6H,1-2H3,(H,19,20)(H,18,21,22) | PDB
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Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM23620
(2-({6-[bis(2-hydroxyethyl)amino]-4,8-bis(piperidin...)Show SMILES OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO Show InChI InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | PDB
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| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 4 (PDE4) from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216227
(CHEMBL329365)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2n(C)c(nc12)C1CCCC1 Show InChI InChI=1S/C20H20Cl2N4O2/c1-26-18-12(20(27)25-16-13(21)9-23-10-14(16)22)7-8-15(28-2)17(18)24-19(26)11-5-3-4-6-11/h7-11H,3-6H2,1-2H3,(H,23,25,27) | PDB
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Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216226
(CHEMBL329023)Show SMILES COc1ccc(C(=O)Nc2c(Cl)cncc2Cl)c2nc(C3CCCC3)n(C)c12 Show InChI InChI=1S/C20H20Cl2N4O2/c1-26-18-15(28-2)8-7-12(16(18)24-19(26)11-5-3-4-6-11)20(27)25-17-13(21)9-23-10-14(17)22/h7-11H,3-6H2,1-2H3,(H,23,25,27) | PDB
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| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer
Curated by ChEMBL
| Assay Description
Inhibition of PDE4 from guinea pig macrophages |
Bioorg Med Chem Lett 8: 2737-42 (1998)
BindingDB Entry DOI: 10.7270/Q2GB267S |
More data for this
Ligand-Target Pair | |
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