Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50048497 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 human VCAM and Ramos cell VLA-4 interaction |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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 human VCAM and Ramos cell VLA-4 interaction |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218578
(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 | PDB
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| 17 | 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 alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218586
(CHEMBL79471)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1 Show InChI InChI=1S/C18H12Cl2N4OS/c1-25-10-2-3-11-12(6-10)17(18-22-4-5-26-18)24-23-16(11)7-13-14(19)8-21-9-15(13)20/h2-6,8-9H,7H2,1H3 | PDB
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| 34 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218589
(CHEMBL79535)Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3 | PDB
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| 89 | 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 alpha4-beta1 VCAM binding in Jurkat cell adhesion assay |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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
Inhibition of rolipram binding to PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218588
(CHEMBL312375)Show InChI InChI=1S/C17H11Cl2N3O/c1-3-16-12-6-10(23-2)4-5-11(12)17(22-21-16)7-13-14(18)8-20-9-15(13)19/h1,4-6,8-9H,7H2,2H3 | PDB
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| 204 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218580
(CHEMBL310387)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H15Cl2N3O/c1-27-14-7-8-15-16(9-14)21(13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3 | PDB
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| 271 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218583
(CHEMBL81364)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O Show InChI InChI=1S/C29H45ClN6O9S/c1-3-16(2)25(35-27(40)24(38)13-17-6-9-23(37)20(30)12-17)28(41)36-21-15-19(45-46(42,43)44)8-7-18(21)14-22(36)26(39)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-38H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,39)(H,35,40)(H4,31,32,34)(H,42,43,44) | PDB
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| 383 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218587
(CHEMBL312322)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1 Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3 | PDB
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| 436 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218585
(CHEMBL3085289)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O Show InChI InChI=1S/C29H46N6O9S/c1-3-17(2)25(34-27(39)24(37)14-18-6-9-20(36)10-7-18)28(40)35-22-16-21(44-45(41,42)43)11-8-19(22)15-23(35)26(38)32-12-4-5-13-33-29(30)31/h6-7,9-10,17,19,21-25,36-37H,3-5,8,11-16H2,1-2H3,(H,32,38)(H,34,39)(H4,30,31,33)(H,41,42,43) | PDB
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| 452 | 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 PDE4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218578
(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 | PDB
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| n/a | n/a | 4 | 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 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218582
(CHEMBL123993)Show SMILES NC(=N)N1CCC[C@H](NC(=O)C2CC3CCC(O)CC3N2C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](O)Cc2ccc(OS(O)(=O)=O)cc2)C1O Show InChI InChI=1S/C33H44N6O11S/c34-33(35)38-13-1-2-24(31(38)45)36-29(43)27-16-20-7-10-22(41)17-26(20)39(27)32(46)25(14-18-3-8-21(40)9-4-18)37-30(44)28(42)15-19-5-11-23(12-6-19)50-51(47,48)49/h3-6,8-9,11-12,20,22,24-28,31,40-42,45H,1-2,7,10,13-17H2,(H3,34,35)(H,36,43)(H,37,44)(H,47,48,49)/t20?,22?,24-,25+,26?,27?,28+,31?/m0/s1 | PDB
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| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218590
(CHEMBL333428)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCCC3=O)c2c1 Show InChI InChI=1S/C19H16Cl2N4O2/c1-27-11-4-5-12-13(7-11)19(25-6-2-3-18(25)26)24-23-17(12)8-14-15(20)9-22-10-16(14)21/h4-5,7,9-10H,2-3,6,8H2,1H3 | PDB
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| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human neutrophil phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218586
(CHEMBL79471)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3nccs3)c2c1 Show InChI InChI=1S/C18H12Cl2N4OS/c1-25-10-2-3-11-12(6-10)17(18-22-4-5-26-18)24-23-16(11)7-13-14(19)8-21-9-15(13)20/h2-6,8-9H,7H2,1H3 | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218584
(CHEMBL332844)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(N3CCN(C)CC3)c2c1 Show InChI InChI=1S/C20H21Cl2N5O/c1-26-5-7-27(8-6-26)20-15-9-13(28-2)3-4-14(15)19(24-25-20)10-16-17(21)11-23-12-18(16)22/h3-4,9,11-12H,5-8,10H2,1-2H3 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218591
(CHEMBL123550)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(CCCCc3ccccc3)c2c1 Show InChI InChI=1S/C25H23Cl2N3O/c1-31-18-11-12-19-20(13-18)24(10-6-5-9-17-7-3-2-4-8-17)29-30-25(19)14-21-22(26)15-28-16-23(21)27/h2-4,7-8,11-13,15-16H,5-6,9-10,14H2,1H3 | PDB
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| CHEMBL
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218579
(CHEMBL123330)Show InChI InChI=1S/C18H18Cl2N4O/c1-3-6-22-18-13-7-11(25-2)4-5-12(13)17(23-24-18)8-14-15(19)9-21-10-16(14)20/h4-5,7,9-10H,3,6,8H2,1-2H3,(H,22,24) | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218576
(CHEMBL123403)Show InChI InChI=1S/C17H15Cl2N3O/c1-3-16-12-6-10(23-2)4-5-11(12)17(22-21-16)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,3,7H2,1-2H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218580
(CHEMBL310387)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(-c3ccccc3)c2c1 Show InChI InChI=1S/C21H15Cl2N3O/c1-27-14-7-8-15-16(9-14)21(13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218589
(CHEMBL79535)Show InChI InChI=1S/C19H18Cl2N4O/c1-26-12-4-5-13-14(8-12)19(25-6-2-3-7-25)24-23-18(13)9-15-16(20)10-22-11-17(15)21/h4-5,8,10-11H,2-3,6-7,9H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218581
(CHEMBL332514)Show InChI InChI=1S/C17H16Cl2N4O/c1-23(2)17-12-6-10(24-3)4-5-11(12)16(21-22-17)7-13-14(18)8-20-9-15(13)19/h4-6,8-9H,7H2,1-3H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Percent inhibition of human Phosphodiesterase 4 at 10e-7 M |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218577
(CHEMBL80107)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(C#Cc3ccccc3)c2c1 Show InChI InChI=1S/C23H15Cl2N3O/c1-29-16-8-9-17-18(11-16)22(10-7-15-5-3-2-4-6-15)27-28-23(17)12-19-20(24)13-26-14-21(19)25/h2-6,8-9,11,13-14H,12H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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 Phosphodiesterase 4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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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Zambon Group
Curated by ChEMBL
| Assay Description
Affinity for alpha4-beta1 integrin from HL60 cell lysate |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218588
(CHEMBL312375)Show InChI InChI=1S/C17H11Cl2N3O/c1-3-16-12-6-10(23-2)4-5-11(12)17(22-21-16)7-13-14(18)8-20-9-15(13)19/h1,4-6,8-9H,7H2,2H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human Phosphodiesterase 4 |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218587
(CHEMBL312322)Show SMILES COc1ccc2c(Cc3c(Cl)cncc3Cl)nnc(Oc3ccccc3)c2c1 Show InChI InChI=1S/C21H15Cl2N3O2/c1-27-14-7-8-15-16(9-14)21(28-13-5-3-2-4-6-13)26-25-20(15)10-17-18(22)11-24-12-19(17)23/h2-9,11-12H,10H2,1H3 | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of alphaM-beta2 mediated cell adhesion |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218583
(CHEMBL81364)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])c(Cl)c1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O Show InChI InChI=1S/C29H45ClN6O9S/c1-3-16(2)25(35-27(40)24(38)13-17-6-9-23(37)20(30)12-17)28(41)36-21-15-19(45-46(42,43)44)8-7-18(21)14-22(36)26(39)33-10-4-5-11-34-29(31)32/h6,9,12,16,18-19,21-22,24-25,37-38H,3-5,7-8,10-11,13-15H2,1-2H3,(H,33,39)(H,35,40)(H4,31,32,34)(H,42,43,44) | PDB
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Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
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 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50218585
(CHEMBL3085289)Show SMILES [#6]-[#6]-[#6](-[#6])-[#6](-[#7]-[#6](=O)-[#6](-[#8])-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-1-[#6]-2-[#6]-[#6](-[#6]-[#6]-[#6]-2-[#6]-[#6]-1-[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#8]S([#8])(=O)=O Show InChI InChI=1S/C29H46N6O9S/c1-3-17(2)25(34-27(39)24(37)14-18-6-9-20(36)10-7-18)28(40)35-22-16-21(44-45(41,42)43)11-8-19(22)15-23(35)26(38)32-12-4-5-13-33-29(30)31/h6-7,9-10,17,19,21-25,36-37H,3-5,8,11-16H2,1-2H3,(H,32,38)(H,34,39)(H4,30,31,33)(H,41,42,43) | PDB
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| n/a | n/a | 1.52E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Zambon Group
Curated by ChEMBL
| Assay Description
Inhibition of human VCAM binding to VLA-4 of Ramos cells in ELISA |
Bioorg Med Chem Lett 11: 33-7 (2001)
BindingDB Entry DOI: 10.7270/Q2MS3VZ5 |
More data for this
Ligand-Target Pair | |
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