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Compile Data Set for Download or QSAR

Found 103 hits Enz. Inhib. hit(s) with all data for entry = 3027   
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))
BDBM389038
PNG
(USRE46792, 35)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1nc(CNC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C24H26N2O5/c1-28-20-10-6-5-9-19(20)23(27)25-14-17-15-30-24(26-17)16-11-12-21(29-2)22(13-16)31-18-7-3-4-8-18/h5-6,9-13,15,18H,3-4,7-8,14H2,1-2H3,(H,25,27)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389039
PNG
(USRE46792, 36)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CNC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H23N3O4/c1-14-4-3-9-23-20(14)21(26)24-11-17-13-29-22(25-17)16-7-8-18(27-2)19(10-16)28-12-15-5-6-15/h3-4,7-10,13,15H,5-6,11-12H2,1-2H3,(H,24,26)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389040
PNG
(USRE46792, 42)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CNC(=O)c2ccc(F)cc2OC)co1
Show InChI InChI=1S/C23H23FN2O5/c1-28-19-8-5-15(9-21(19)30-12-14-3-4-14)23-26-17(13-31-23)11-25-22(27)18-7-6-16(24)10-20(18)29-2/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,25,27)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389041
PNG
(USRE46792, 43)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CNC(=O)c2c(F)cccc2OC)co1
Show InChI InChI=1S/C23H23FN2O5/c1-28-18-9-8-15(10-20(18)30-12-14-6-7-14)23-26-16(13-31-23)11-25-22(27)21-17(24)4-3-5-19(21)29-2/h3-5,8-10,13-14H,6-7,11-12H2,1-2H3,(H,25,27)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389042
PNG
(USRE46792, 44)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CNC(=O)c2ccccc2SC)co1
Show InChI InChI=1S/C23H24N2O4S/c1-27-19-10-9-16(11-20(19)28-13-15-7-8-15)23-25-17(14-29-23)12-24-22(26)18-5-3-4-6-21(18)30-2/h3-6,9-11,14-15H,7-8,12-13H2,1-2H3,(H,24,26)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389043
PNG
(USRE46792, 61)
Show SMILES CCCOc1cccnc1C(=O)NCc1coc(n1)-c1ccc(OC)c(OCC2CC2)c1
Show InChI InChI=1S/C24H27N3O5/c1-3-11-30-20-5-4-10-25-22(20)23(28)26-13-18-15-32-24(27-18)17-8-9-19(29-2)21(12-17)31-14-16-6-7-16/h4-5,8-10,12,15-16H,3,6-7,11,13-14H2,1-2H3,(H,26,28)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389044
PNG
(USRE46792, 62)
Show SMILES COc1ccc(cc1OCC(C)C)-c1nc(CNC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H25N3O4/c1-14(2)12-28-19-10-16(7-8-18(19)27-4)22-25-17(13-29-22)11-24-21(26)20-15(3)6-5-9-23-20/h5-10,13-14H,11-12H2,1-4H3,(H,24,26)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389045
PNG
(USRE46792, 63)
Show SMILES COc1ccc(cc1OCC(C)C)-c1nc(CNC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C23H26N2O5/c1-15(2)13-29-21-11-16(9-10-20(21)28-4)23-25-17(14-30-23)12-24-22(26)18-7-5-6-8-19(18)27-3/h5-11,14-15H,12-13H2,1-4H3,(H,24,26)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389046
PNG
(USRE46792, 76)
Show SMILES COc1ccc(cc1OCC(C)C)-c1nc(CNC(=O)c2ccccc2OC(C)C)co1
Show InChI InChI=1S/C25H30N2O5/c1-16(2)14-30-23-12-18(10-11-22(23)29-5)25-27-19(15-31-25)13-26-24(28)20-8-6-7-9-21(20)32-17(3)4/h6-12,15-17H,13-14H2,1-5H3,(H,26,28)
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389047
PNG
(USRE46792, 98)
Show SMILES FC(F)Oc1ccc(cc1OC(F)F)-c1nc(CCl)co1
Show InChI InChI=1S/C12H8ClF4NO3/c13-4-7-5-19-10(18-7)6-1-2-8(20-11(14)15)9(3-6)21-12(16)17/h1-3,5,11-12H,4H2
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389048
PNG
(USRE46792, 99)
Show SMILES NCc1coc(n1)-c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C12H10F4N2O3/c13-11(14)20-8-2-1-6(3-9(8)21-12(15)16)10-18-7(4-17)5-19-10/h1-3,5,11-12H,4,17H2
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389049
PNG
(USRE46792, 102)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC2CC2)c1
Show InChI InChI=1S/C25H27NO5/c1-3-29-22-7-5-4-6-20(22)21(27)12-11-19-16-31-25(26-19)18-10-13-23(28-2)24(14-18)30-15-17-8-9-17/h4-7,10,13-14,16-17H,3,8-9,11-12,15H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389050
PNG
(USRE46792, 103)
Show SMILES CCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ccccc2OCC)co1
Show InChI InChI=1S/C23H25NO5/c1-4-27-20-9-7-6-8-18(20)19(25)12-11-17-15-29-23(24-17)16-10-13-21(26-3)22(14-16)28-5-2/h6-10,13-15H,4-5,11-12H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389051
PNG
(USRE46792, 104)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC=C)c1
Show InChI InChI=1S/C24H25NO5/c1-4-14-29-23-15-17(10-13-22(23)27-3)24-25-18(16-30-24)11-12-20(26)19-8-6-7-9-21(19)28-5-2/h4,6-10,13,15-16H,1,5,11-12,14H2,2-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389052
PNG
(USRE46792, 108)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCCC=C)c1
Show InChI InChI=1S/C25H27NO5/c1-4-6-15-30-24-16-18(11-14-23(24)28-3)25-26-19(17-31-25)12-13-21(27)20-9-7-8-10-22(20)29-5-2/h4,7-11,14,16-17H,1,5-6,12-13,15H2,2-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389053
PNG
(USRE46792, 111)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OC(C)C)c1
Show InChI InChI=1S/C24H27NO5/c1-5-28-21-9-7-6-8-19(21)20(26)12-11-18-15-29-24(25-18)17-10-13-22(27-4)23(14-17)30-16(2)3/h6-10,13-16H,5,11-12H2,1-4H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389054
PNG
(USRE46792, 112)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C23H22F3NO5/c1-3-30-19-7-5-4-6-17(19)18(28)10-9-16-13-31-22(27-16)15-8-11-20(29-2)21(12-15)32-14-23(24,25)26/h4-8,11-13H,3,9-10,14H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389055
PNG
(USRE46792, 116)
Show SMILES CCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC2CCC2)c1
Show InChI InChI=1S/C26H29NO5/c1-3-30-23-10-5-4-9-21(23)22(28)13-12-20-17-32-26(27-20)19-11-14-24(29-2)25(15-19)31-16-18-7-6-8-18/h4-5,9-11,14-15,17-18H,3,6-8,12-13,16H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389056
PNG
(USRE46792, 126)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CCC(=O)c2ncccc2OC)co1
Show InChI InChI=1S/C23H24N2O5/c1-27-19-10-7-16(12-21(19)29-13-15-5-6-15)23-25-17(14-30-23)8-9-18(26)22-20(28-2)4-3-11-24-22/h3-4,7,10-12,14-15H,5-6,8-9,13H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389057
PNG
(USRE46792, 129)
Show SMILES COc1ccc(cc1OCC(F)(F)F)-c1nc(CCC(=O)c2ncccc2OC)co1
Show InChI InChI=1S/C21H19F3N2O5/c1-28-16-8-5-13(10-18(16)31-12-21(22,23)24)20-26-14(11-30-20)6-7-15(27)19-17(29-2)4-3-9-25-19/h3-5,8-11H,6-7,12H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389058
PNG
(USRE46792, 132)
Show SMILES CCOc1cccnc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C25H28N2O5/c1-3-30-22-9-6-14-26-24(22)20(28)12-11-18-16-31-25(27-18)17-10-13-21(29-2)23(15-17)32-19-7-4-5-8-19/h6,9-10,13-16,19H,3-5,7-8,11-12H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389059
PNG
(USRE46792, 133)
Show SMILES CCOc1cccnc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC2CC2)c1
Show InChI InChI=1S/C24H26N2O5/c1-3-29-21-5-4-12-25-23(21)19(27)10-9-18-15-31-24(26-18)17-8-11-20(28-2)22(13-17)30-14-16-6-7-16/h4-5,8,11-13,15-16H,3,6-7,9-10,14H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389060
PNG
(USRE46792, 137)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C23H24N2O4/c1-15-4-3-11-24-22(15)19(26)9-8-18-14-29-23(25-18)17-7-10-20(27-2)21(12-17)28-13-16-5-6-16/h3-4,7,10-12,14,16H,5-6,8-9,13H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389061
PNG
(USRE46792, 138)
Show SMILES CCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C21H22N2O4/c1-4-26-19-12-15(7-10-18(19)25-3)21-23-16(13-27-21)8-9-17(24)20-14(2)6-5-11-22-20/h5-7,10-13H,4,8-9H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389062
PNG
(USRE46792, 139)
Show SMILES COc1ccc(cc1OC(C)C)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H24N2O4/c1-14(2)28-20-12-16(7-10-19(20)26-4)22-24-17(13-27-22)8-9-18(25)21-15(3)6-5-11-23-21/h5-7,10-14H,8-9H2,1-4H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389063
PNG
(USRE46792, 140)
Show SMILES COc1ccc(cc1OCC=C)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H22N2O4/c1-4-12-27-20-13-16(7-10-19(20)26-3)22-24-17(14-28-22)8-9-18(25)21-15(2)6-5-11-23-21/h4-7,10-11,13-14H,1,8-9,12H2,2-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389064
PNG
(USRE46792, 141)
Show SMILES COc1ccc(cc1OCC1CCC1)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C24H26N2O4/c1-16-5-4-12-25-23(16)20(27)10-9-19-15-30-24(26-19)18-8-11-21(28-2)22(13-18)29-14-17-6-3-7-17/h4-5,8,11-13,15,17H,3,6-7,9-10,14H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389065
PNG
(USRE46792, 143)
Show SMILES CCCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H24N2O4/c1-4-12-27-20-13-16(7-10-19(20)26-3)22-24-17(14-28-22)8-9-18(25)21-15(2)6-5-11-23-21/h5-7,10-11,13-14H,4,8-9,12H2,1-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389066
PNG
(USRE46792, 146)
Show SMILES COc1ccc(cc1OCCC=C)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C23H24N2O4/c1-4-5-13-28-21-14-17(8-11-20(21)27-3)23-25-18(15-29-23)9-10-19(26)22-16(2)7-6-12-24-22/h4,6-8,11-12,14-15H,1,5,9-10,13H2,2-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389067
PNG
(USRE46792, 153)
Show SMILES COc1ccc(cc1OCCC1CC1)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C24H26N2O4/c1-16-4-3-12-25-23(16)20(27)9-8-19-15-30-24(26-19)18-7-10-21(28-2)22(14-18)29-13-11-17-5-6-17/h3-4,7,10,12,14-15,17H,5-6,8-9,11,13H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389068
PNG
(USRE46792, 155)
Show SMILES COc1ccc(cc1OCC(F)(F)F)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C21H19F3N2O4/c1-13-4-3-9-25-19(13)16(27)7-6-15-11-29-20(26-15)14-5-8-17(28-2)18(10-14)30-12-21(22,23)24/h3-5,8-11H,6-7,12H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389069
PNG
(USRE46792, 157)
Show SMILES COc1ccc(cc1OC1CCCC=C1)-c1nc(CCC(=O)c2ncccc2C)co1 |c:14|
Show InChI InChI=1S/C25H26N2O4/c1-17-7-6-14-26-24(17)21(28)12-11-19-16-30-25(27-19)18-10-13-22(29-2)23(15-18)31-20-8-4-3-5-9-20/h4,6-8,10,13-16,20H,3,5,9,11-12H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389070
PNG
(USRE46792, 159)
Show SMILES COc1ccc(cc1OC1Cc2ccccc2C1)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C28H26N2O4/c1-18-6-5-13-29-27(18)24(31)11-10-22-17-33-28(30-22)21-9-12-25(32-2)26(16-21)34-23-14-19-7-3-4-8-20(19)15-23/h3-9,12-13,16-17,23H,10-11,14-15H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389071
PNG
(USRE46792, 166)
Show SMILES COc1ccc(cc1OCC=C)-c1nc(CCC(=O)c2ccccc2OCC=C)co1
Show InChI InChI=1S/C25H25NO5/c1-4-14-29-22-9-7-6-8-20(22)21(27)12-11-19-17-31-25(26-19)18-10-13-23(28-3)24(16-18)30-15-5-2/h4-10,13,16-17H,1-2,11-12,14-15H2,3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389072
PNG
(USRE46792, 169)
Show SMILES COc1ccc(cc1OC(C)C)-c1nc(CCC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C23H25NO5/c1-15(2)29-22-13-16(9-12-21(22)27-4)23-24-17(14-28-23)10-11-19(25)18-7-5-6-8-20(18)26-3/h5-9,12-15H,10-11H2,1-4H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389073
PNG
(USRE46792, 170)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CCC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C24H25NO5/c1-27-21-6-4-3-5-19(21)20(26)11-10-18-15-30-24(25-18)17-9-12-22(28-2)23(13-17)29-14-16-7-8-16/h3-6,9,12-13,15-16H,7-8,10-11,14H2,1-2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389074
PNG
(USRE46792, 172)
Show SMILES CCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C22H23NO5/c1-4-27-21-13-15(9-12-20(21)26-3)22-23-16(14-28-22)10-11-18(24)17-7-5-6-8-19(17)25-2/h5-9,12-14H,4,10-11H2,1-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389075
PNG
(USRE46792, 174)
Show SMILES COc1ccc(cc1OCC=C)-c1nc(CCC(=O)c2ccccc2OC)co1
Show InChI InChI=1S/C23H23NO5/c1-4-13-28-22-14-16(9-12-21(22)27-3)23-24-17(15-29-23)10-11-19(25)18-7-5-6-8-20(18)26-2/h4-9,12,14-15H,1,10-11,13H2,2-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389076
PNG
(USRE46792, 177)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CCC(=O)c2ccccc2OCC=C)co1
Show InChI InChI=1S/C26H27NO5/c1-3-14-30-23-7-5-4-6-21(23)22(28)12-11-20-17-32-26(27-20)19-10-13-24(29-2)25(15-19)31-16-18-8-9-18/h3-7,10,13,15,17-18H,1,8-9,11-12,14,16H2,2H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389077
PNG
(USRE46792, 181)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(CCC(=O)c2ncccc2C)co1
Show InChI InChI=1S/C22H24N2O4/c1-4-26-19-11-8-16(13-20(19)27-5-2)22-24-17(14-28-22)9-10-18(25)21-15(3)7-6-12-23-21/h6-8,11-14H,4-5,9-10H2,1-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389078
PNG
(USRE46792, 182)
Show SMILES CCOc1ccc(cc1OCC)-c1nc(CCC(=O)c2ccccc2OCC)co1
Show InChI InChI=1S/C24H27NO5/c1-4-27-21-10-8-7-9-19(21)20(26)13-12-18-16-30-24(25-18)17-11-14-22(28-5-2)23(15-17)29-6-3/h7-11,14-16H,4-6,12-13H2,1-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389079
PNG
(USRE46792, 195)
Show SMILES CCCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(OCC)c1
Show InChI InChI=1S/C24H27NO5/c1-4-14-29-21-9-7-6-8-19(21)20(26)12-11-18-16-30-24(25-18)17-10-13-22(27-3)23(15-17)28-5-2/h6-10,13,15-16H,4-5,11-12,14H2,1-3H3
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University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389080
PNG
(USRE46792, 208)
Show SMILES COc1ccc(cc1OCC1CC1)-c1nc(CCC(=O)c2ccccc2OC(C)C)co1
Show InChI InChI=1S/C26H29NO5/c1-17(2)32-23-7-5-4-6-21(23)22(28)12-11-20-16-31-26(27-20)19-10-13-24(29-3)25(14-19)30-15-18-8-9-18/h4-7,10,13-14,16-18H,8-9,11-12,15H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389081
PNG
(USRE46792, 224)
Show SMILES COc1ccc(cc1OC(C)C)-c1nc(CCC(=O)c2ccccc2OCC=C)co1
Show InChI InChI=1S/C25H27NO5/c1-5-14-29-22-9-7-6-8-20(22)21(27)12-11-19-16-30-25(26-19)18-10-13-23(28-4)24(15-18)31-17(2)3/h5-10,13,15-17H,1,11-12,14H2,2-4H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389082
PNG
(USRE46792, 232)
Show SMILES COCOc1ccccc1C(=O)CCc1coc(n1)-c1ccc(OC)c(O)c1
Show InChI InChI=1S/C21H21NO6/c1-25-13-28-19-6-4-3-5-16(19)17(23)9-8-15-12-27-21(22-15)14-7-10-20(26-2)18(24)11-14/h3-7,10-12,24H,8-9,13H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389083
PNG
(USRE46792, 274)
Show SMILES CCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ccccc2OC(F)F)co1
Show InChI InChI=1S/C22H21F2NO5/c1-3-28-20-12-14(8-11-19(20)27-2)21-25-15(13-29-21)9-10-17(26)16-6-4-5-7-18(16)30-22(23)24/h4-8,11-13,22H,3,9-10H2,1-2H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389084
PNG
(USRE46792, 275)
Show SMILES COc1ccc(cc1OC(C)C)-c1nc(CCC(=O)c2ccccc2OCCF)co1
Show InChI InChI=1S/C24H26FNO5/c1-16(2)31-23-14-17(8-11-22(23)28-3)24-26-18(15-30-24)9-10-20(27)19-6-4-5-7-21(19)29-13-12-25/h4-8,11,14-16H,9-10,12-13H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389085
PNG
(USRE46792, 276)
Show SMILES COc1ccc(cc1OCCC=C)-c1nc(CCC(=O)c2ccccc2OCCF)co1
Show InChI InChI=1S/C25H26FNO5/c1-3-4-14-30-24-16-18(9-12-23(24)29-2)25-27-19(17-32-25)10-11-21(28)20-7-5-6-8-22(20)31-15-13-26/h3,5-9,12,16-17H,1,4,10-11,13-15H2,2H3
PDB

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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389086
PNG
(USRE46792, 278)
Show SMILES COc1ccc(cc1OC(C)C)-c1nc(CCC(=O)c2ccccc2OCC(F)F)co1
Show InChI InChI=1S/C24H25F2NO5/c1-15(2)32-22-12-16(8-11-21(22)29-3)24-27-17(13-31-24)9-10-19(28)18-6-4-5-7-20(18)30-14-23(25)26/h4-8,11-13,15,23H,9-10,14H2,1-3H3
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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM389087
PNG
(USRE46792, 280)
Show SMILES CCOc1cc(ccc1OC)-c1nc(CCC(=O)c2ccccc2OCC(F)F)co1
Show InChI InChI=1S/C23H23F2NO5/c1-3-29-21-12-15(8-11-20(21)28-2)23-26-16(13-31-23)9-10-18(27)17-6-4-5-7-19(17)30-14-22(24)25/h4-8,11-13,22H,3,9-10,14H2,1-2H3
PDB

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UniProtKB/SwissProt

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n/an/a<50n/an/an/an/an/an/a



University of Tampere



Assay Description
Necessary amounts of test compounds were weighed, and 100% dimethylsulfoxide (DMSO) was added thereto to adjust the concentration to 10 mM. The solut...


J Med Chem 52: 646-54 (2009)


BindingDB Entry DOI: 10.7270/Q2DZ0BNN
More data for this
Ligand-Target Pair
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