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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with all data for entry = 50040596   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50108504
PNG
(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)
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n/an/a 1.5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396765
PNG
(CHEMBL2172376)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)|
Show InChI InChI=1S/C22H22N2O2S/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-
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396765
PNG
(CHEMBL2172376)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)|
Show InChI InChI=1S/C22H22N2O2S/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-
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n/an/a 17n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396759
PNG
(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)
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n/an/a 19n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396762
PNG
(CHEMBL2172373)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 |r,wU:3.2,wD:6.9,(13.43,-15.19,;12.09,-14.42,;12.09,-12.88,;10.76,-15.2,;10.76,-16.74,;9.44,-17.51,;8.1,-16.75,;8.09,-15.21,;9.42,-14.43,;6.76,-17.53,;5.43,-16.77,;4.1,-17.54,;2.76,-16.78,;1.44,-17.55,;1.43,-19.09,;2.77,-19.86,;4.1,-19.08,;5.44,-19.85,;6.77,-19.08,;5.44,-21.38,;4.1,-22.16,;4.11,-23.69,;5.44,-24.46,;6.78,-23.68,;8.12,-24.44,;8.13,-25.98,;9.46,-26.75,;6.8,-26.76,;8.11,-27.52,;6.77,-22.15,)|
Show InChI InChI=1S/C22H19F3N2O3/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29/h1-5,10-14H,6-9H2,(H,28,29)/t13-,14-
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n/an/a 24n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396765
PNG
(CHEMBL2172376)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)[C@H]1CC[C@@H](CC1)C(O)=O |r,wU:21.27,wD:18.20,(8.68,-13.64,;8.67,-12.1,;7.34,-11.34,;6,-12.12,;4.66,-11.35,;4.66,-9.81,;6,-9.04,;7.33,-9.8,;6,-7.51,;7.33,-6.73,;7.32,-5.18,;5.99,-4.42,;4.66,-5.2,;3.32,-4.43,;2,-5.2,;1.99,-6.75,;3.33,-7.52,;4.66,-6.74,;8.66,-4.4,;9.99,-5.17,;11.32,-4.4,;11.32,-2.86,;9.98,-2.09,;8.64,-2.87,;12.65,-2.08,;13.98,-2.85,;12.65,-.54,)|
Show InChI InChI=1S/C22H22N2O2S/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-
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n/an/a 27n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396758
PNG
(CHEMBL2172369)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O2/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)
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396756
PNG
(CHEMBL2172367)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396763
PNG
(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-
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50108504
PNG
(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)
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396763
PNG
(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-
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396764
PNG
(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-
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n/an/a 41n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396762
PNG
(CHEMBL2172373)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 |r,wU:3.2,wD:6.9,(13.43,-15.19,;12.09,-14.42,;12.09,-12.88,;10.76,-15.2,;10.76,-16.74,;9.44,-17.51,;8.1,-16.75,;8.09,-15.21,;9.42,-14.43,;6.76,-17.53,;5.43,-16.77,;4.1,-17.54,;2.76,-16.78,;1.44,-17.55,;1.43,-19.09,;2.77,-19.86,;4.1,-19.08,;5.44,-19.85,;6.77,-19.08,;5.44,-21.38,;4.1,-22.16,;4.11,-23.69,;5.44,-24.46,;6.78,-23.68,;8.12,-24.44,;8.13,-25.98,;9.46,-26.75,;6.8,-26.76,;8.11,-27.52,;6.77,-22.15,)|
Show InChI InChI=1S/C22H19F3N2O3/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29/h1-5,10-14H,6-9H2,(H,28,29)/t13-,14-
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n/an/a 43n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396755
PNG
(CHEMBL2172366)
Show SMILES COc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 45n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396757
PNG
(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)
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n/an/a 51n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396760
PNG
(CHEMBL2172371)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 51n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM50396761
PNG
(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-
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n/an/a 64n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4D-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396764
PNG
(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-
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n/an/a 93n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396762
PNG
(CHEMBL2172373)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1 |r,wU:3.2,wD:6.9,(13.43,-15.19,;12.09,-14.42,;12.09,-12.88,;10.76,-15.2,;10.76,-16.74,;9.44,-17.51,;8.1,-16.75,;8.09,-15.21,;9.42,-14.43,;6.76,-17.53,;5.43,-16.77,;4.1,-17.54,;2.76,-16.78,;1.44,-17.55,;1.43,-19.09,;2.77,-19.86,;4.1,-19.08,;5.44,-19.85,;6.77,-19.08,;5.44,-21.38,;4.1,-22.16,;4.11,-23.69,;5.44,-24.46,;6.78,-23.68,;8.12,-24.44,;8.13,-25.98,;9.46,-26.75,;6.8,-26.76,;8.11,-27.52,;6.77,-22.15,)|
Show InChI InChI=1S/C22H19F3N2O3/c23-22(24,25)30-17-5-1-3-15(11-17)20-19-16(4-2-10-26-19)12-18(27-20)13-6-8-14(9-7-13)21(28)29/h1-5,10-14H,6-9H2,(H,28,29)/t13-,14-
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n/an/a 107n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396763
PNG
(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-
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n/an/a 123n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396761
PNG
(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-
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n/an/a 156n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396764
PNG
(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-
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n/an/a 160n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396759
PNG
(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)
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n/an/a 168n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396758
PNG
(CHEMBL2172369)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O2/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)
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n/an/a 187n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396756
PNG
(CHEMBL2172367)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)
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n/an/a 225n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396761
PNG
(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-
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n/an/a 242n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396759
PNG
(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)
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n/an/a 271n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396758
PNG
(CHEMBL2172369)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C20H18ClN3O2/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)
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n/an/a 364n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396756
PNG
(CHEMBL2172367)
Show SMILES OC(=O)C1CCN(CC1)c1cc2cccnc2c(n1)-c1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C21H18F3N3O3/c22-21(23,24)30-16-5-1-3-14(11-16)19-18-15(4-2-8-25-18)12-17(26-19)27-9-6-13(7-10-27)20(28)29/h1-5,8,11-13H,6-7,9-10H2,(H,28,29)
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n/an/a 371n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396755
PNG
(CHEMBL2172366)
Show SMILES COc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 537n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396760
PNG
(CHEMBL2172371)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 587n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50396757
PNG
(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)
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n/an/a 587n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50108504
PNG
(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)
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n/an/a 602n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4A


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396755
PNG
(CHEMBL2172366)
Show SMILES COc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O3/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 615n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396760
PNG
(CHEMBL2172371)
Show SMILES CSc1cccc(c1)-c1nc(cc2cccnc12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C21H21N3O2S/c1-27-17-6-2-4-15(12-17)20-19-16(5-3-9-22-19)13-18(23-20)24-10-7-14(8-11-24)21(25)26/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
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n/an/a 1.33E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50396757
PNG
(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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antibodypedia
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Article
PubMed
n/an/a 1.33E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human PDE4B-mediated [3H]CAMP hydrolysis after 30 to 60 mins by scintillation proximity assay


J Med Chem 55: 7472-9 (2012)


Article DOI: 10.1021/jm300459a
BindingDB Entry DOI: 10.7270/Q2RN390V
More data for this
Ligand-Target Pair