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PubMed code 21456625

Compile data set for download or QSAR
Found 41 hits of Enzyme Inhibition Constant Data   
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 4A


(Homo sapiens (human))
BDBM50393511
PNG
(CHEMBL2158056)
Show SMILES CC(C)=CCn1nc(-c2cccc(c2)[N+]([O-])=O)c2ncccc2c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3
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n/an/a 11n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393510
PNG
(CHEMBL1232082)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccncc2)c1=O
Show InChI InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/a 22n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/a 29n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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 290n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393509
PNG
(PYRIDOPYRIDAZINONE)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13N5O3/c25-19-16-5-2-8-21-18(16)17(14-3-1-4-15(11-14)24(26)27)22-23(19)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393512
PNG
(CHEMBL2158057)
Show SMILES Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2
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n/an/a 340n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
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)/t12-/m0/s1
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n/an/a 550n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393518
PNG
(CHEMBL2158064)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(Cc2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m1/s1
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n/an/a 730n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
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)
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n/an/a 830n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393515
PNG
(CHEMBL2158061)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C)C(=O)C1
Show InChI InChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50040348
PNG
(8-Amino-1,3-bis-cyclopropylmethyl-3,7-dihydro-puri...)
Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393516
PNG
(CHEMBL2158062)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CN(C)C(=O)C1
Show InChI InChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
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)/t12-/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393517
PNG
(CHEMBL2158063)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m0/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393525
PNG
(CHEMBL2158070)
Show SMILES CCc1nc(cc2cccnc12)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C17H14N2O2/c1-2-14-16-13(4-3-9-18-16)10-15(19-14)11-5-7-12(8-6-11)17(20)21/h3-10H,2H2,1H3,(H,20,21)
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n/an/a 5.40E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393523
PNG
(CHEMBL2158068)
Show SMILES CCCOc1cc(ccc1OC)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C14H19NO3/c1-3-6-18-13-7-10(4-5-12(13)17-2)11-8-14(16)15-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,15,16)/t11-/m0/s1
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n/an/a 6.20E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393522
PNG
(CHEMBL2158003)
Show SMILES CCOc1cc(ccc1OC)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393521
PNG
(CHEMBL2158067)
Show SMILES CCOc1cc(ccc1OC)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393524
PNG
(CHEMBL2158069)
Show SMILES CCCOc1cc(ccc1OC)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C14H19NO3/c1-3-6-18-13-7-10(4-5-12(13)17-2)11-8-14(16)15-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,15,16)/t11-/m1/s1
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393513
PNG
(CHEMBL2158059)
Show SMILES COc1ccc2c(CC[C@@]22CNC(=O)C2)c1OC1CCCC1
Show InChI InChI=1S/C18H23NO3/c1-21-15-7-6-14-13(17(15)22-12-4-2-3-5-12)8-9-18(14)10-16(20)19-11-18/h6-7,12H,2-5,8-11H2,1H3,(H,19,20)/t18-/m1/s1
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393514
PNG
(CHEMBL2158060)
Show SMILES COc1ccc2c(CC[C@]22CNC(=O)C2)c1OC1CCCC1
Show InChI InChI=1S/C18H23NO3/c1-21-15-7-6-14-13(17(15)22-12-4-2-3-5-12)8-9-18(14)10-16(20)19-11-18/h6-7,12H,2-5,8-11H2,1H3,(H,19,20)/t18-/m0/s1
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393519
PNG
(CHEMBL2158065)
Show SMILES COc1ccc(cc1OC)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)/t9-/m0/s1
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393520
PNG
(CHEMBL2158066)
Show SMILES COc1ccc(cc1OC)[C@H]1CNC(=O)C1
Show InChI InChI=1S/C12H15NO3/c1-15-10-4-3-8(5-11(10)16-2)9-6-12(14)13-7-9/h3-5,9H,6-7H2,1-2H3,(H,13,14)/t9-/m1/s1
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Inhibition of full-length PDE4A4 using cAMP as substrate by two-step radiochemical assay


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393517
PNG
(CHEMBL2158063)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(Cc2ccccc2)C(=O)C1
Show InChI InChI=1S/C23H27NO3/c1-26-21-12-11-18(13-22(21)27-20-9-5-6-10-20)19-14-23(25)24(16-19)15-17-7-3-2-4-8-17/h2-4,7-8,11-13,19-20H,5-6,9-10,14-16H2,1H3/t19-/m0/s1
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n/an/an/an/a 2.10E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393509
PNG
(PYRIDOPYRIDAZINONE)
Show SMILES [O-][N+](=O)c1cccc(c1)-c1nn(Cc2ccncc2)c(=O)c2cccnc12
Show InChI InChI=1S/C19H13N5O3/c25-19-16-5-2-8-21-18(16)17(14-3-1-4-15(11-14)24(26)27)22-23(19)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/an/an/a 220n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393510
PNG
(CHEMBL1232082)
Show SMILES [O-][N+](=O)c1cccc(c1)-n1c2ncccc2c(=O)n(Cc2ccncc2)c1=O
Show InChI InChI=1S/C19H13N5O4/c25-18-16-5-2-8-21-17(16)23(14-3-1-4-15(11-14)24(27)28)19(26)22(18)12-13-6-9-20-10-7-13/h1-11H,12H2
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n/an/an/an/a 17n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
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)
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n/an/an/an/a 500n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50240404
PNG
((Ibudilast)1-(2-Isopropyl-pyrazolo[1,5-a]pyridin-3...)
Show SMILES CC(C)C(=O)c1c(nn2ccccc12)C(C)C
Show InChI InChI=1S/C14H18N2O/c1-9(2)13-12(14(17)10(3)4)11-7-5-6-8-16(11)15-13/h5-10H,1-4H3
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n/an/an/an/a 900n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393523
PNG
(CHEMBL2158068)
Show SMILES CCCOc1cc(ccc1OC)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C14H19NO3/c1-3-6-18-13-7-10(4-5-12(13)17-2)11-8-14(16)15-9-11/h4-5,7,11H,3,6,8-9H2,1-2H3,(H,15,16)/t11-/m0/s1
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n/an/an/an/a 4.60E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50040348
PNG
(8-Amino-1,3-bis-cyclopropylmethyl-3,7-dihydro-puri...)
Show SMILES Nc1nc2n(CC3CC3)c(=O)n(CC3CC3)c(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
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n/an/an/an/a 910n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393512
PNG
(CHEMBL2158057)
Show SMILES Clc1cccc(c1)-c1nn(CC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-1-3-12(9-13)15-16-14(5-2-8-19-16)17(22)21(20-15)10-11-6-7-11/h1-5,8-9,11H,6-7,10H2
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n/an/an/an/a 270n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393521
PNG
(CHEMBL2158067)
Show SMILES CCOc1cc(ccc1OC)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C13H17NO3/c1-3-17-12-6-9(4-5-11(12)16-2)10-7-13(15)14-8-10/h4-6,10H,3,7-8H2,1-2H3,(H,14,15)/t10-/m0/s1
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n/an/an/an/a 5.60E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
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)/t12-/m0/s1
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n/an/an/an/a 480n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/an/an/a 3.30E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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/an/an/a 250n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393515
PNG
(CHEMBL2158061)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C)C(=O)C1
Show InChI InChI=1S/C17H23NO3/c1-18-11-13(10-17(18)19)12-7-8-15(20-2)16(9-12)21-14-5-3-4-6-14/h7-9,13-14H,3-6,10-11H2,1-2H3/t13-/m0/s1
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n/an/an/an/a 500n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50085135
PNG
(4-(8-(3-nitrophenyl)-1,7-naphthyridin-6-yl)benzoic...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc2cccnc2c(n1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)
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n/an/an/an/a 20n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50393511
PNG
(CHEMBL2158056)
Show SMILES CC(C)=CCn1nc(-c2cccc(c2)[N+]([O-])=O)c2ncccc2c1=O
Show InChI InChI=1S/C18H16N4O3/c1-12(2)8-10-21-18(23)15-7-4-9-19-17(15)16(20-21)13-5-3-6-14(11-13)22(24)25/h3-9,11H,10H2,1-2H3
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n/an/an/an/a 15n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (human))
BDBM50042056
PNG
((R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrrolid...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CNC(=O)C1
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)/t12-/m1/s1
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Article
PubMed
n/an/an/an/a 3.40E+3n/an/an/an/a



University of Glasgow

Curated by ChEMBL


Assay Description
Induction of SQSTM1-dependent intracellular redistribution of GFP-tagged PDE4A4 assessed as maximal accretion of enzyme into foci


J Med Chem 54: 3331-47 (2011)


Article DOI: 10.1021/jm200070e
BindingDB Entry DOI: 10.7270/Q2CF9R75
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%