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)) | 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 | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Rolipram binding to PDE4 at 1 uM |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216236
(CHEMBL89860)Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=S)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C20H18F3N3OS/c1-2-26-12-16(19(27)25-10-7-13-5-8-24-9-6-13)18(28)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,27) | PDB
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| CHEMBL
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PC sid
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216235
(CHEMBL89569)Show SMILES CCn1cc(C(=O)NCCc2ccccc2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C21H19F3N2O2/c1-2-26-13-17(20(28)25-11-10-14-6-4-3-5-7-14)19(27)16-12-15(21(22,23)24)8-9-18(16)26/h3-9,12-13H,2,10-11H2,1H3,(H,25,28) | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 600 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216237
(CHEMBL90054)Show SMILES CCn1cc(C(=O)NC2CCc3cc(OC)c(OC)cc23)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C24H23F3N2O4/c1-4-29-12-17(22(30)16-10-14(24(25,26)27)6-8-19(16)29)23(31)28-18-7-5-13-9-20(32-2)21(33-3)11-15(13)18/h6,8-12,18H,4-5,7H2,1-3H3,(H,28,31) | PDB
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| CHEMBL
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| n/a | n/a | 900 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216225
(CHEMBL89127)Show SMILES CCn1cc(C(=O)N\N=C\c2ccccc2Cl)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+ | PDB
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| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216240
(CHEMBL89510)Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cnc(nc12)N1CCCC1 Show InChI InChI=1S/C21H24N6O2/c1-2-26-14-17(20(29)23-10-7-15-5-8-22-9-6-15)18(28)16-13-24-21(25-19(16)26)27-11-3-4-12-27/h5-6,8-9,13-14H,2-4,7,10-12H2,1H3,(H,23,29) | PDB
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| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216223
(CHEMBL89708)Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C20H18F3N3O2/c1-2-26-12-16(19(28)25-10-7-13-5-8-24-9-6-13)18(27)15-11-14(20(21,22)23)3-4-17(15)26/h3-6,8-9,11-12H,2,7,10H2,1H3,(H,25,28) | PDB
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216258
(CHEMBL542902)Show SMILES Cl.CCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C21H20F3N3O2/c1-2-11-27-13-17(20(29)26-10-7-14-5-8-25-9-6-14)19(28)16-12-15(21(22,23)24)3-4-18(16)27/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,26,29) | PDB
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antibodypedia
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216239
(CHEMBL262644)Show SMILES CCn1cc(C(=O)NC2CCc3cc(NC(C)=O)ccc23)c(=O)c2cnc(nc12)N1CCCC1 Show InChI InChI=1S/C25H28N6O3/c1-3-30-14-20(22(33)19-13-26-25(29-23(19)30)31-10-4-5-11-31)24(34)28-21-9-6-16-12-17(27-15(2)32)7-8-18(16)21/h7-8,12-14,21H,3-6,9-11H2,1-2H3,(H,27,32)(H,28,34) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
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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PubMed
| n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216257
(CHEMBL316165)Show SMILES CC1CCc2cc(F)cc3c2n1cc(C(=O)NCCc1ccncc1)c3=O Show InChI InChI=1S/C21H20FN3O2/c1-13-2-3-15-10-16(22)11-17-19(15)25(13)12-18(20(17)26)21(27)24-9-6-14-4-7-23-8-5-14/h4-5,7-8,10-13H,2-3,6,9H2,1H3,(H,24,27) | PDB
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| n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216225
(CHEMBL89127)Show SMILES CCn1cc(C(=O)N\N=C\c2ccccc2Cl)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C20H15ClF3N3O2/c1-2-27-11-15(19(29)26-25-10-12-5-3-4-6-16(12)21)18(28)14-9-13(20(22,23)24)7-8-17(14)27/h3-11H,2H2,1H3,(H,26,29)/b25-10+ | PDB
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| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Rolipram binding to PDE4 at 1 uM |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216258
(CHEMBL542902)Show SMILES Cl.CCCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C21H20F3N3O2/c1-2-11-27-13-17(20(29)26-10-7-14-5-8-25-9-6-14)19(28)16-12-15(21(22,23)24)3-4-18(16)27/h3-6,8-9,12-13H,2,7,10-11H2,1H3,(H,26,29) | PDB
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of Rolipram binding to PDE4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216224
(CHEMBL89606)Show SMILES CCn1cc(C(=O)NCCc2ccncc2)c(=O)c2cc3OCOc3cc12 Show InChI InChI=1S/C20H19N3O4/c1-2-23-11-15(20(25)22-8-5-13-3-6-21-7-4-13)19(24)14-9-17-18(10-16(14)23)27-12-26-17/h3-4,6-7,9-11H,2,5,8,12H2,1H3,(H,22,25) | PDB
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| n/a | n/a | 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216238
(CHEMBL90328)Show SMILES CCn1cc(C(=O)N(C)CCc2ccccc2)c(=O)c2cc(ccc12)C(F)(F)F Show InChI InChI=1S/C22H21F3N2O2/c1-3-27-14-18(21(29)26(2)12-11-15-7-5-4-6-8-15)20(28)17-13-16(22(23,24)25)9-10-19(17)27/h4-10,13-14H,3,11-12H2,1-2H3 | PDB
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PC sid
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| n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chiroscience Ltd
Curated by ChEMBL
| Assay Description
Inhibition of phosphodiesterase 4 |
Bioorg Med Chem Lett 8: 2629-34 (1998)
BindingDB Entry DOI: 10.7270/Q2M32XZQ |
More data for this
Ligand-Target Pair | |
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