Found 1298 hits with Last Name = 'page' and Initial = 'm' 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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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
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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| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
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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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
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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| 4.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase 14
(Homo sapiens (Human)) | BDBM50189884
(CHEMBL3827618)Show InChI InChI=1S/C18H12FNO4/c19-12-6-4-11(9-16(12)22)18(24)14-3-1-2-13(20-14)10-5-7-15(21)17(23)8-10/h1-9,21-23H | PDB
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Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Philipps University Marburg
Curated by ChEMBL
| Assay Description
Inhibition of human 17-beta-HSD14 using estradiol as substrate after 15 mins by fluorimetric assay |
J Med Chem 59: 6961-7 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00293
BindingDB Entry DOI: 10.7270/Q2R213B7 |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215950
(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) | PDB
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| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214362
(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) | PDB
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| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215947
(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) | PDB
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| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
Thymidine phosphorylase
(Homo sapiens (Human)) | BDBM20079
(5-chloro-6-[(2-iminopyrrolidin-1-yl)methyl]-1,2,3,...)Show InChI InChI=1S/C9H11ClN4O2/c10-7-5(12-9(16)13-8(7)15)4-14-3-1-2-6(14)11/h11H,1-4H2,(H2,12,13,15,16) | PDB
MMDB
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| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description
Inhibitory activity against thymidine phosphorylase |
J Med Chem 48: 392-402 (2005)
Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215945
(CHEMBL54988)Show SMILES Cc1cn(CCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H25Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h7-8,11-14,16H,2-6,9-10H2,1H3,(H,26,27,29) | PDB
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| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215955
(CHEMBL301448)Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)cs1 Show InChI InChI=1S/C20H16Cl2N4OS/c1-11-8-26(9-14-10-28-12(2)24-14)18-5-13(3-4-15(11)18)20(27)25-19-16(21)6-23-7-17(19)22/h3-8,10H,9H2,1-2H3,(H,23,25,27) | PDB
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| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214422
(CHEMBL101479)Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C24H21Cl2N3O2/c1-16-13-28(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)27-23-20(25)14-29(31)15-21(23)26/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,27,30) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215125
(CHEMBL102503)Show SMILES Cc1cn(CC2CCCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H25Cl2N3O2/c1-15-11-27(12-16-6-4-2-3-5-7-16)21-10-17(8-9-18(15)21)23(29)26-22-19(24)13-28(30)14-20(22)25/h8-11,13-14,16H,2-7,12H2,1H3,(H,26,29) | PDB
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| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215127
(CHEMBL102310)Show SMILES Cc1cn(C2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C21H21Cl2N3O2/c1-13-10-26(15-5-3-2-4-6-15)19-9-14(7-8-16(13)19)21(27)24-20-17(22)11-25(28)12-18(20)23/h7-12,15H,2-6H2,1H3,(H,24,27) | PDB
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| 38 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215948
(CHEMBL54361)Show SMILES Cc1cn(CCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C24H21Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h2-4,6-7,9-10,12-15H,5,8,11H2,1H3,(H,27,28,30) | PDB
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| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214506
(CHEMBL323069)Show SMILES Cc1cn(Cc2ccc3ccccc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C26H19Cl2N3O2/c1-16-12-30(13-17-6-7-18-4-2-3-5-19(18)10-17)24-11-20(8-9-21(16)24)26(32)29-25-22(27)14-31(33)15-23(25)28/h2-12,14-15H,13H2,1H3,(H,29,32) | PDB
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| 51 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215953
(CHEMBL292925)Show SMILES COc1ccccc1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H19Cl2N3O2/c1-14-12-28(13-16-5-3-4-6-21(16)30-2)20-9-15(7-8-17(14)20)23(29)27-22-18(24)10-26-11-19(22)25/h3-12H,13H2,1-2H3,(H,26,27,29) | PDB
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| 54 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215944
(CHEMBL54590)Show SMILES Cc1cn(Cc2cccc3ccccc23)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C26H19Cl2N3O/c1-16-14-31(15-19-7-4-6-17-5-2-3-8-21(17)19)24-11-18(9-10-20(16)24)26(32)30-25-22(27)12-29-13-23(25)28/h2-14H,15H2,1H3,(H,29,30,32) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214749
(CHEMBL102741)Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C22H17Cl2N3O2/c1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24/h2-10,12-13H,11H2,1H3,(H,25,28) | PDB
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| 60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215057
(CHEMBL322837)Show SMILES Cc1nc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)c[n+]([O-])cc2Cl)cs1 Show InChI InChI=1S/C20H16Cl2N4O2S/c1-11-6-25(7-14-10-29-12(2)23-14)18-5-13(3-4-15(11)18)20(27)24-19-16(21)8-26(28)9-17(19)22/h3-6,8-10H,7H2,1-2H3,(H,24,27) | PDB
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| 64 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215952
(CHEMBL55203)Show SMILES CCCCCCCn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H25Cl2N3O/c1-3-4-5-6-7-10-27-14-15(2)17-9-8-16(11-20(17)27)22(28)26-21-18(23)12-25-13-19(21)24/h8-9,11-14H,3-7,10H2,1-2H3,(H,25,26,28) | PDB
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| 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215126
(CHEMBL414417)Show SMILES Cc1cn(Cc2ccc(cc2)C(F)(F)F)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H16Cl2F3N3O2/c1-13-9-30(10-14-2-5-16(6-3-14)23(26,27)28)20-8-15(4-7-17(13)20)22(32)29-21-18(24)11-31(33)12-19(21)25/h2-9,11-12H,10H2,1H3,(H,29,32) | PDB
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214380
(CHEMBL323132)Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C24H27Cl2N3O2/c1-16-13-28(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)27-23-20(25)14-29(31)15-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,30) | PDB
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| 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214748
(CHEMBL103007)Show SMILES Cc1cn(Cc2ccc(Cl)cc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C22H16Cl3N3O2/c1-13-9-27(10-14-2-5-16(23)6-3-14)20-8-15(4-7-17(13)20)22(29)26-21-18(24)11-28(30)12-19(21)25/h2-9,11-12H,10H2,1H3,(H,26,29) | PDB
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| 71 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215941
(CHEMBL300395)Show SMILES Cc1cn(Cc2cccc(c2)[N+]([O-])=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H16Cl2N4O3/c1-13-11-27(12-14-3-2-4-16(7-14)28(30)31)20-8-15(5-6-17(13)20)22(29)26-21-18(23)9-25-10-19(21)24/h2-11H,12H2,1H3,(H,25,26,29) | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215943
(CHEMBL417930)Show SMILES Cc1cn(Cc2c(C)noc2C)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H18Cl2N4O2/c1-11-9-27(10-16-12(2)26-29-13(16)3)19-6-14(4-5-15(11)19)21(28)25-20-17(22)7-24-8-18(20)23/h4-9H,10H2,1-3H3,(H,24,25,28) | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215940
(CHEMBL53559)Show SMILES COc1cccc(Cn2cc(C)c3ccc(cc23)C(=O)Nc2c(Cl)cncc2Cl)c1 Show InChI InChI=1S/C23H19Cl2N3O2/c1-14-12-28(13-15-4-3-5-17(8-15)30-2)21-9-16(6-7-18(14)21)23(29)27-22-19(24)10-26-11-20(22)25/h3-12H,13H2,1-2H3,(H,26,27,29) | PDB
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| 75 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215108
(CHEMBL102758)Show SMILES Cc1cn(Cc2ccc3OCOc3c2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H17Cl2N3O4/c1-13-8-27(9-14-2-5-20-21(6-14)32-12-31-20)19-7-15(3-4-16(13)19)23(29)26-22-17(24)10-28(30)11-18(22)25/h2-8,10-11H,9,12H2,1H3,(H,26,29) | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215128
(CHEMBL318586)Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C22H23Cl2N3O2/c1-14-10-26(11-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)25-21-18(23)12-27(29)13-19(21)24/h7-10,12-13,15H,2-6,11H2,1H3,(H,25,28) | PDB
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| 86 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215123
(CHEMBL102876)Show SMILES CC(C)Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C19H19Cl2N3O2/c1-11(2)7-23-8-12(3)14-5-4-13(6-17(14)23)19(25)22-18-15(20)9-24(26)10-16(18)21/h4-6,8-11H,7H2,1-3H3,(H,22,25) | PDB
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| 116 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215937
(CHEMBL299332)Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28) | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215937
(CHEMBL299332)Show SMILES Cc1cn(CC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H23Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h7-12,15H,2-6,13H2,1H3,(H,25,26,28) | PDB
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| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214790
(CHEMBL262269)Show SMILES Cc1cn(CCCCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C25H23Cl2N3O2/c1-17-14-29(12-6-5-9-18-7-3-2-4-8-18)23-13-19(10-11-20(17)23)25(31)28-24-21(26)15-30(32)16-22(24)27/h2-4,7-8,10-11,13-16H,5-6,9,12H2,1H3,(H,28,31) | PDB
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| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215942
(CHEMBL301201)Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H17Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h2-12H,13H2,1H3,(H,25,26,28) | PDB
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| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215942
(CHEMBL301201)Show SMILES Cc1cn(Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C22H17Cl2N3O/c1-14-12-27(13-15-5-3-2-4-6-15)20-9-16(7-8-17(14)20)22(28)26-21-18(23)10-25-11-19(21)24/h2-12H,13H2,1H3,(H,25,26,28) | PDB
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| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215956
(CHEMBL294831)Show SMILES Cc1cn(CCN2CCOCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C21H22Cl2N4O2/c1-14-13-27(5-4-26-6-8-29-9-7-26)19-10-15(2-3-16(14)19)21(28)25-20-17(22)11-24-12-18(20)23/h2-3,10-13H,4-9H2,1H3,(H,24,25,28) | PDB
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| 172 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215949
(CHEMBL54767)Show SMILES Cc1cn(CCCC2CCCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C24H27Cl2N3O/c1-16-15-29(11-5-8-17-6-3-2-4-7-17)22-12-18(9-10-19(16)22)24(30)28-23-20(25)13-27-14-21(23)26/h9-10,12-15,17H,2-8,11H2,1H3,(H,27,28,30) | PDB
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| 187 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215939
(CHEMBL56406)Show SMILES Cc1cn(Cc2ccc(cc2)C(N)=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H18Cl2N4O2/c1-13-11-29(12-14-2-4-15(5-3-14)22(26)30)20-8-16(6-7-17(13)20)23(31)28-21-18(24)9-27-10-19(21)25/h2-11H,12H2,1H3,(H2,26,30)(H,27,28,31) | PDB
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| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215124
(CHEMBL104780)Show SMILES Cc1noc(C)c1Cn1cc(C)c2ccc(cc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C21H18Cl2N4O3/c1-11-7-26(8-16-12(2)25-30-13(16)3)19-6-14(4-5-15(11)19)21(28)24-20-17(22)9-27(29)10-18(20)23/h4-7,9-10H,8H2,1-3H3,(H,24,28) | PDB
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| 225 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215951
(CHEMBL429356)Show SMILES Cc1cn(CCc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c1-15-14-28(10-9-16-5-3-2-4-6-16)21-11-17(7-8-18(15)21)23(29)27-22-19(24)12-26-13-20(22)25/h2-8,11-14H,9-10H2,1H3,(H,26,27,29) | PDB
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| 280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215958
(CHEMBL445354)Show SMILES Cc1cn(Cc2ccc(cc2)S(C)(=O)=O)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C23H19Cl2N3O3S/c1-14-12-28(13-15-3-6-17(7-4-15)32(2,30)31)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) | PDB
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215957
(CHEMBL55867)Show SMILES Cc1cn(C2CCCC2)c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C20H19Cl2N3O/c1-12-11-25(14-4-2-3-5-14)18-8-13(6-7-15(12)18)20(26)24-19-16(21)9-23-10-17(19)22/h6-11,14H,2-5H2,1H3,(H,23,24,26) | PDB
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Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215058
(CHEMBL321760)Show SMILES Cc1cn(Cc2nccn2Cc2ccccc2)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C26H21Cl2N5O2/c1-17-12-32(16-24-29-9-10-31(24)13-18-5-3-2-4-6-18)23-11-19(7-8-20(17)23)26(34)30-25-21(27)14-33(35)15-22(25)28/h2-12,14-15H,13,16H2,1H3,(H,30,34) | PDB
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| 393 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215936
(CHEMBL52712)Show SMILES Cc1cn(c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C22H17Cl2N3O3S/c1-13-3-6-16(7-4-13)31(29,30)27-12-14(2)17-8-5-15(9-20(17)27)22(28)26-21-18(23)10-25-11-19(21)24/h3-12H,1-2H3,(H,25,26,28) | PDB
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| 712 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
Thymidine phosphorylase
(Escherichia coli) | BDBM50122770
(6-Amino-5-bromo-1H-pyrimidine-2,4-dione | 6-Amino-...)Show InChI InChI=1S/C4H4BrN3O2/c5-1-2(6)7-4(10)8-3(1)9/h(H4,6,7,8,9,10) | PDB
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PubMed
| 800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Manchester
Curated by ChEMBL
| Assay Description
Inhibitory activity against Escherichia coli thymidine phosphorylase |
J Med Chem 48: 392-402 (2005)
Article DOI: 10.1021/jm049494r
BindingDB Entry DOI: 10.7270/Q2445N8K |
More data for this
Ligand-Target Pair | |
Sodium-dependent dopamine transporter
(Homo sapiens (Human)) | BDBM50023181
(CHEMBL3298876)Show InChI InChI=1S/C11H15NO/c1-3-12-9(2)11(13)10-7-5-4-6-8-10/h4-9,12H,3H2,1-2H3 | NCI pathway
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| 1.01E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
RTI International
Curated by ChEMBL
| Assay Description
Inhibition of DAT (unknown origin)-mediated dopamine reuptake |
ACS Med Chem Lett 5: 623-7 (2014)
Article DOI: 10.1021/ml500113s
BindingDB Entry DOI: 10.7270/Q2FN17SS |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50214384
(CHEMBL101368)Show SMILES Cc1cn(Cc2ccc(cc2)S(C)(=O)=O)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H19Cl2N3O4S/c1-14-10-27(11-15-3-6-17(7-4-15)33(2,31)32)21-9-16(5-8-18(14)21)23(29)26-22-19(24)12-28(30)13-20(22)25/h3-10,12-13H,11H2,1-2H3,(H,26,29) | PDB
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| 1.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215121
(CHEMBL102020)Show SMILES Cc1cn(Cc2ccc(cc2)C(O)=O)c2cc(ccc12)C(=O)Nc1c(Cl)c[n+]([O-])cc1Cl Show InChI InChI=1S/C23H17Cl2N3O4/c1-13-9-27(10-14-2-4-15(5-3-14)23(30)31)20-8-16(6-7-17(13)20)22(29)26-21-18(24)11-28(32)12-19(21)25/h2-9,11-12H,10H2,1H3,(H,26,29)(H,30,31) | PDB
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| 3.18E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Affinity for rolipram binding site of phosphodiesterase type IV (PDE4) |
Bioorg Med Chem Lett 8: 3053-8 (1998)
BindingDB Entry DOI: 10.7270/Q2PV6NK6 |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215938
(CHEMBL53373)Show SMILES CCc1cn(c2cc(ccc12)C(=O)Nc1c(Cl)cncc1Cl)S(=O)(=O)c1ccc(C)cc1 Show InChI InChI=1S/C23H19Cl2N3O3S/c1-3-15-13-28(32(30,31)17-7-4-14(2)5-8-17)21-10-16(6-9-18(15)21)23(29)27-22-19(24)11-26-12-20(22)25/h4-13H,3H2,1-2H3,(H,26,27,29) | PDB
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| >3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50215946
(CHEMBL300129)Show SMILES Cc1ccc(cc1)S(=O)(=O)n1cc(Cc2ccccc2)c2ccc(cc12)C(=O)Nc1c(Cl)cncc1Cl Show InChI InChI=1S/C28H21Cl2N3O3S/c1-18-7-10-22(11-8-18)37(35,36)33-17-21(13-19-5-3-2-4-6-19)23-12-9-20(14-26(23)33)28(34)32-27-24(29)15-31-16-25(27)30/h2-12,14-17H,13H2,1H3,(H,31,32,34) | PDB
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| >3.75E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rh£ne-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Binding affinity against PDE4 was determined using [3H]- rolipram in guinea pig brain membrane binding assay |
Bioorg Med Chem Lett 8: 1867-72 (1998)
BindingDB Entry DOI: 10.7270/Q2CJ8GPB |
More data for this
Ligand-Target Pair | |
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