Found 447 hits with Last Name = 'moriarty' and Initial = 'k' 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 |
|---|
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
MCE
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PC sid
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| PubMed
| 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against LTB4 receptor using guinea pig (GP) spleen cell membrane |
J Med Chem 35: 4253-5 (1992)
BindingDB Entry DOI: 10.7270/Q208648W |
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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| PDB
PubMed
| 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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| 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) |
Leukotriene B4 receptor 1
(Homo sapiens (Human)) | BDBM50001609
(8-Benzyloxy-4-[(methyl-phenethyl-carbamoyl)-methyl...)Show SMILES CN(CCc1ccccc1)C(=O)Cc1cc(cc2c(OCc3ccccc3)cccc12)C(O)=O Show InChI InChI=1S/C29H27NO4/c1-30(16-15-21-9-4-2-5-10-21)28(31)19-23-17-24(29(32)33)18-26-25(23)13-8-14-27(26)34-20-22-11-6-3-7-12-22/h2-14,17-18H,15-16,19-20H2,1H3,(H,32,33) | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Rhone-Poulenc Rorer Central Research
Curated by ChEMBL
| Assay Description
Antagonistic activity of the compound against monkey neutrophil LTB4 receptor 2 min after an iv dose of 3 mg/kg . |
J Med Chem 35: 4253-5 (1992)
BindingDB Entry DOI: 10.7270/Q208648W |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11123
((2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phen...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H19F2N3O/c21-15-7-8-17(18(22)11-15)14-5-3-13(4-6-14)10-19(24)20(26)25-9-1-2-16(25)12-23/h3-8,11,16,19H,1-2,9-10,24H2/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
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| PC cid
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| Article
PubMed
| 2.20 | -49.4 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11121
((2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1 | PDB
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| PC cid
PC sid
UniChem
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| Article
PubMed
| 3.10 | -48.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216147
(CHEMBL134237)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccc3ccccc3c2)C1=O Show InChI InChI=1S/C33H34N2O3/c1-37-30-13-12-28(21-31(30)38-29-8-4-5-9-29)33(22-24-14-17-34-18-15-24)16-19-35(32(33)36)23-25-10-11-26-6-2-3-7-27(26)20-25/h2-3,6-7,10-15,17-18,20-21,29H,4-5,8-9,16,19,22-23H2,1H3 | PDB
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| 4.30 | 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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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| 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) |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11122
((2S)-1-[(2S)-2-amino-3-[4-(2-fluorophenyl)phenyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1F)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H20FN3O/c21-18-6-2-1-5-17(18)15-9-7-14(8-10-15)12-19(23)20(25)24-11-3-4-16(24)13-22/h1-2,5-10,16,19H,3-4,11-12,23H2/t16-,19-/m0/s1 | PDB
MMDB
Reactome pathway
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| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5.30 | -47.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
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)) | BDBM50215392
(CHEMBL131565)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(C(=O)OC(C)(C)C)C1=O Show InChI InChI=1S/C27H34N2O5/c1-26(2,3)34-25(31)29-16-13-27(24(29)30,18-19-11-14-28-15-12-19)20-9-10-22(32-4)23(17-20)33-21-7-5-6-8-21/h9-12,14-15,17,21H,5-8,13,16,18H2,1-4H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 7.5 | 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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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| CHEMBL
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PC sid
UniChem
Similars
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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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11118
((2S)-1-[(2S)-2-amino-3-(4-phenylphenyl)propanoyl]p...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C20H21N3O/c21-14-18-7-4-12-23(18)20(24)19(22)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,18-19H,4,7,12-13,22H2/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | -45.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
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
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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UniChem
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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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11119
((2S)-1-[(2S)-2-amino-3-[4-(4-methylphenyl)phenyl]p...)Show SMILES Cc1ccc(cc1)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C21H23N3O/c1-15-4-8-17(9-5-15)18-10-6-16(7-11-18)13-20(23)21(25)24-12-2-3-19(24)14-22/h4-11,19-20H,2-3,12-13,23H2,1H3/t19-,20-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | -43.9 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
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
UniProtKB/SwissProt
antibodypedia
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| PubMed
| 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
UniProtKB/SwissProt
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| CHEMBL
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UniChem
Similars
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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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11120
((2S)-1-[(2S)-2-amino-3-[4-(3,4-dimethoxyphenyl)phe...)Show SMILES COc1ccc(cc1OC)-c1ccc(C[C@H](N)C(=O)N2CCC[C@H]2C#N)cc1 |r| Show InChI InChI=1S/C22H25N3O3/c1-27-20-10-9-17(13-21(20)28-2)16-7-5-15(6-8-16)12-19(24)22(26)25-11-3-4-18(25)14-23/h5-10,13,18-19H,3-4,11-12,24H2,1-2H3/t18-,19-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 26 | -43.3 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11113
(6-{[2-({2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl...)Show InChI InChI=1S/C15H18N6O/c16-8-12-3-4-14(20-10-12)19-6-5-18-11-15(22)21-7-1-2-13(21)9-17/h3-4,10,13,18H,1-2,5-7,11H2,(H,19,20)/t13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
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| Article
PubMed
| 27 | -43.2 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
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
UniProtKB/SwissProt
antibodypedia
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antibodypedia
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PC sid
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| PubMed
| 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
UniProtKB/SwissProt
antibodypedia
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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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11116
((2S)-1-[(2S)-2-amino-3-(4-iodophenyl)propanoyl]pyr...)Show SMILES N[C@@H](Cc1ccc(I)cc1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C14H16IN3O/c15-11-5-3-10(4-6-11)8-13(17)14(19)18-7-1-2-12(18)9-16/h3-6,12-13H,1-2,7-8,17H2/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | -42.6 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11124
((2S)-1-[(2S)-2-amino-3-[4-(furan-2-yl)phenyl]propa...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccco1)C(=O)N1CCC[C@H]1C#N |r| Show InChI InChI=1S/C18H19N3O2/c19-12-15-3-1-9-21(15)18(22)16(20)11-13-5-7-14(8-6-13)17-4-2-10-23-17/h2,4-8,10,15-16H,1,3,9,11,20H2/t15-,16-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 36 | -42.5 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
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
UniProtKB/SwissProt
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UniChem
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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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Patents
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| PubMed
| 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)) | BDBM50216148
(CHEMBL335380)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(CC2CCCCC2)C1=O Show InChI InChI=1S/C29H38N2O3/c1-33-26-12-11-24(19-27(26)34-25-9-5-6-10-25)29(20-22-13-16-30-17-14-22)15-18-31(28(29)32)21-23-7-3-2-4-8-23/h11-14,16-17,19,23,25H,2-10,15,18,20-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
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PC sid
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Similars
| PubMed
| 43 | 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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
UniProtKB/SwissProt
antibodypedia
antibodypedia
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antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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)) | BDBM50215391
(CHEMBL334765)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(Cc2ccccc2)C1=O Show InChI InChI=1S/C29H32N2O3/c1-33-26-12-11-24(19-27(26)34-25-9-5-6-10-25)29(20-22-13-16-30-17-14-22)15-18-31(28(29)32)21-23-7-3-2-4-8-23/h2-4,7-8,11-14,16-17,19,25H,5-6,9-10,15,18,20-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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PC sid
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| PubMed
| 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)) | 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
UniProtKB/SwissProt
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| PubMed
| 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)) | 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
UniProtKB/SwissProt
antibodypedia
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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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11115
((2S)-1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidine...)Show InChI InChI=1S/C14H17N3O/c15-10-12-7-4-8-17(12)14(18)13(16)9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9,16H2/t12-,13-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | -41.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
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| CHEMBL
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| PubMed
| 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
UniProtKB/SwissProt
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| PubMed
| 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
UniProtKB/SwissProt
antibodypedia
antibodypedia
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antibodypedia
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AffyNet
| CHEMBL
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PC sid
UniChem
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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
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 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)) | 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)) | 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)) | 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)) | BDBM50215962
(CHEMBL130957)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(CCC(C)C)C1=O Show InChI InChI=1S/C27H36N2O3/c1-20(2)12-16-29-17-13-27(26(29)30,19-21-10-14-28-15-11-21)22-8-9-24(31-3)25(18-22)32-23-6-4-5-7-23/h8-11,14-15,18,20,23H,4-7,12-13,16-17,19H2,1-3H3 | PDB
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| 80 | 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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)) | 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 | |
Dipeptidyl peptidase 4
(Homo sapiens (Human)) | BDBM11136
((2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]-1-(1...)Show SMILES N[C@@H](Cc1ccc(cc1)-c1ccc(F)cc1F)C(=O)N1CCSC1 |r| Show InChI InChI=1S/C18H18F2N2OS/c19-14-5-6-15(16(20)10-14)13-3-1-12(2-4-13)9-17(21)18(23)22-7-8-24-11-22/h1-6,10,17H,7-9,11,21H2/t17-/m0/s1 | PDB
MMDB
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| Article
PubMed
| 96 | -40.1 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Johnson & Johnson Pharmaceutical
| Assay Description
The progress of DPPIV inhibition by compounds was measured by recording the liberation of free pNA at 405 nm. IC50 was determined from the slope of r... |
Bioorg Med Chem Lett 16: 123-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.037
BindingDB Entry DOI: 10.7270/Q2S180QJ |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50216155
(CHEMBL337660)Show SMILES COc1ccc(cc1OC1CCCC1)C1(Cc2ccncc2)CCN(C(=O)OC(C)C)C1=O Show InChI InChI=1S/C26H32N2O5/c1-18(2)32-25(30)28-15-12-26(24(28)29,17-19-10-13-27-14-11-19)20-8-9-22(31-3)23(16-20)33-21-6-4-5-7-21/h8-11,13-14,16,18,21H,4-7,12,15,17H2,1-3H3 | PDB
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| 113 | 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 phosphodiesterase (PDE IV) in guinea pig brain membrane using [3H]rolipram displacement. |
Bioorg Med Chem Lett 8: 399-404 (1998)
BindingDB Entry DOI: 10.7270/Q2222WZ0 |
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
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)) | 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)) | 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 | |
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