Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50046464 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 4D
(Homo sapiens (Human)) | BDBM50108504
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27) | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113973
(CHEMBL3605513)Show InChI InChI=1S/C19H16N4O/c20-13-14-3-1-4-15(11-14)19-18-16(5-2-6-21-18)12-17(22-19)23-7-9-24-10-8-23/h1-6,11-12H,7-10H2 | PDB
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| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113976
(CHEMBL3605510)Show SMILES NC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H19N5O/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-24-19)12-18(25-20)26-9-6-15(7-10-26)21(23)27/h1-5,8,11-12,15H,6-7,9-10H2,(H2,23,27) | PDB
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| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113975
(CHEMBL3605511)Show InChI InChI=1S/C21H20N4O/c22-13-16-3-1-4-17(11-16)21-20-18(5-2-8-23-20)12-19(24-21)25-9-6-15(14-26)7-10-25/h1-5,8,11-12,15,26H,6-7,9-10,14H2 | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50396759
(CHEMBL2172370)Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N Show InChI InChI=1S/C21H18N4O2/c22-13-14-3-1-4-16(11-14)20-19-17(5-2-8-23-19)12-18(24-20)25-9-6-15(7-10-25)21(26)27/h1-5,8,11-12,15H,6-7,9-10H2,(H,26,27) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113974
(CHEMBL3605512)Show InChI InChI=1S/C20H18N4O/c21-13-14-3-1-4-15(11-14)20-19-16(5-2-8-22-19)12-18(23-20)24-9-6-17(25)7-10-24/h1-5,8,11-12,17,25H,6-7,9-10H2 | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50113977
(CHEMBL3605509)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1 |r,wU:6.9,wD:3.2,(-8.02,-5.08,;-8.02,-3.85,;-9.08,-3.23,;-6.68,-3.08,;-5.35,-3.85,;-4.01,-3.08,;-4.01,-1.54,;-5.35,-.77,;-6.68,-1.54,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;-1.33,1.54,;-2.68,.77,;-1.33,3.08,;-2.66,3.85,;-2.65,5.39,;-1.32,6.16,;.01,5.38,;1.08,6,;.01,3.84,)| Show InChI InChI=1S/C21H19ClN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14- | PDB
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| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50396763
(CHEMBL2172374)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 |r,wU:3.2,wD:6.9,(42.24,-3.6,;40.9,-2.83,;40.9,-1.29,;39.57,-3.61,;39.57,-5.15,;38.25,-5.92,;36.91,-5.16,;36.9,-3.62,;38.24,-2.84,;35.58,-5.93,;34.24,-5.18,;32.92,-5.95,;31.58,-5.18,;30.25,-5.95,;30.25,-7.5,;31.58,-8.27,;32.92,-7.49,;34.25,-8.26,;35.59,-7.48,;34.25,-9.79,;32.92,-10.56,;32.92,-12.1,;34.26,-12.87,;35.59,-12.09,;36.93,-12.85,;35.58,-10.55,)| Show InChI InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14- | PDB
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| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50396763
(CHEMBL2172374)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 |r,wU:3.2,wD:6.9,(42.24,-3.6,;40.9,-2.83,;40.9,-1.29,;39.57,-3.61,;39.57,-5.15,;38.25,-5.92,;36.91,-5.16,;36.9,-3.62,;38.24,-2.84,;35.58,-5.93,;34.24,-5.18,;32.92,-5.95,;31.58,-5.18,;30.25,-5.95,;30.25,-7.5,;31.58,-8.27,;32.92,-7.49,;34.25,-8.26,;35.59,-7.48,;34.25,-9.79,;32.92,-10.56,;32.92,-12.1,;34.26,-12.87,;35.59,-12.09,;36.93,-12.85,;35.58,-10.55,)| Show InChI InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14- | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4B
(Homo sapiens (Human)) | BDBM50108504
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27) | PDB
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| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDE4B (unknown origin) |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50396764
(CHEMBL2172375)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(c1)C#N |r,wU:3.2,wD:6.9,(27.23,-2.74,;25.89,-1.97,;25.89,-.43,;24.56,-2.75,;24.56,-4.29,;23.23,-5.06,;21.9,-4.29,;21.88,-2.76,;23.22,-1.98,;20.56,-5.07,;19.22,-4.31,;17.9,-5.09,;16.56,-4.32,;15.23,-5.09,;15.23,-6.64,;16.57,-7.41,;17.9,-6.63,;19.23,-7.4,;20.57,-6.62,;19.24,-8.93,;17.9,-9.7,;17.9,-11.24,;19.24,-12.01,;20.58,-11.23,;20.57,-9.69,;21.91,-11.98,;23.25,-12.75,)| Show InChI InChI=1S/C22H19N3O2/c23-13-14-3-1-4-17(11-14)21-20-18(5-2-10-24-20)12-19(25-21)15-6-8-16(9-7-15)22(26)27/h1-5,10-12,15-16H,6-9H2,(H,26,27)/t15-,16- | PDB
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| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50396757
(CHEMBL2172368)Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 Show InChI InChI=1S/C20H18FN3O2/c21-16-5-1-3-14(11-16)19-18-15(4-2-8-22-18)12-17(23-19)24-9-6-13(7-10-24)20(25)26/h1-5,8,11-13H,6-7,9-10H2,(H,25,26) | PDB
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D
(Homo sapiens (Human)) | BDBM50396761
(CHEMBL2172372)Show SMILES COc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(21.7,-27.47,;21.69,-25.93,;20.35,-25.17,;19.02,-25.95,;17.68,-25.18,;17.68,-23.64,;19.01,-22.87,;20.34,-23.63,;19.01,-21.34,;20.35,-20.56,;20.34,-19.01,;19,-18.26,;17.68,-19.03,;16.34,-18.26,;15.01,-19.03,;15.01,-20.58,;16.34,-21.35,;17.68,-20.57,;21.67,-18.24,;23.01,-19,;24.34,-18.23,;24.33,-16.69,;23,-15.92,;21.66,-16.7,;25.67,-15.91,;27,-16.68,;25.66,-14.37,)| Show InChI InChI=1S/C22H22N2O3/c1-27-18-6-2-4-16(12-18)21-20-17(5-3-11-23-20)13-19(24-21)14-7-9-15(10-8-14)22(25)26/h2-6,11-15H,7-10H2,1H3,(H,25,26)/t14-,15- | PDB
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Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of human PDE4D |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50396763
(CHEMBL2172374)Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(F)c1 |r,wU:3.2,wD:6.9,(42.24,-3.6,;40.9,-2.83,;40.9,-1.29,;39.57,-3.61,;39.57,-5.15,;38.25,-5.92,;36.91,-5.16,;36.9,-3.62,;38.24,-2.84,;35.58,-5.93,;34.24,-5.18,;32.92,-5.95,;31.58,-5.18,;30.25,-5.95,;30.25,-7.5,;31.58,-8.27,;32.92,-7.49,;34.25,-8.26,;35.59,-7.48,;34.25,-9.79,;32.92,-10.56,;32.92,-12.1,;34.26,-12.87,;35.59,-12.09,;36.93,-12.85,;35.58,-10.55,)| Show InChI InChI=1S/C21H19FN2O2/c22-17-5-1-3-15(11-17)20-19-16(4-2-10-23-19)12-18(24-20)13-6-8-14(9-7-13)21(25)26/h1-5,10-14H,6-9H2,(H,25,26)/t13-,14- | PDB
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| n/a | n/a | 123 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDE4A (unknown origin) |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A
(Homo sapiens (Human)) | BDBM50108504
(4-(8-(benzo[c][1,2,5]oxadiazol-5-yl)-1,7-naphthyri...)Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1ccc2nonc2c1 Show InChI InChI=1S/C21H12N4O3/c26-21(27)13-5-3-12(4-6-13)17-10-14-2-1-9-22-19(14)20(23-17)15-7-8-16-18(11-15)25-28-24-16/h1-11H,(H,26,27) | PDB
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| n/a | n/a | 602 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for Biomedical Research
Curated by ChEMBL
| Assay Description
Inhibition of PDE4A (unknown origin) |
J Med Chem 58: 6747-52 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00902
BindingDB Entry DOI: 10.7270/Q2319XPF |
More data for this
Ligand-Target Pair | |
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