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Compile Data Set for Download or QSAR

Found 43 hits with Last Name = 'domanico' and Initial = 'pl'   
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 4B


(Homo sapiens (Human))
BDBM50029954
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15-/m1/s1
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27n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50048248
PNG
((3S,4R)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(C)=O
Show InChI InChI=1S/C20H27NO5/c1-13(22)16-11-21(20(23)25-3)12-17(16)14-8-9-18(24-2)19(10-14)26-15-6-4-5-7-15/h8-10,15-17H,4-7,11-12H2,1-3H3/t16-,17-/m0/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285059
PNG
(1-(tert-butyl) 3-methyl 4-(3-cyclopentyloxy-4-meth...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H33NO6/c1-23(2,3)30-22(26)24-13-17(18(14-24)21(25)28-5)15-10-11-19(27-4)20(12-15)29-16-8-6-7-9-16/h10-12,16-18H,6-9,13-14H2,1-5H3/t17-,18+/m0/s1
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30n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285045
PNG
(1-isopropyl 3-methyl 4-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)C
Show InChI InChI=1S/C22H31NO6/c1-14(2)28-22(25)23-12-17(18(13-23)21(24)27-4)15-9-10-19(26-3)20(11-15)29-16-7-5-6-8-16/h9-11,14,16-18H,5-8,12-13H2,1-4H3/t17-,18+/m0/s1
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40n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285042
PNG
(CHEMBL302632 | tert-butyl 3-(3-cyclopentyloxy-4-me...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1CO)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H33NO5/c1-22(2,3)28-21(25)23-12-16(14-24)18(13-23)15-9-10-19(26-4)20(11-15)27-17-7-5-6-8-17/h9-11,16-18,24H,5-8,12-14H2,1-4H3/t16-,18-/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285038
PNG
(1-benzyl 3-methyl 4-(3-cyclopentyloxy-4-methoxyphe...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H31NO6/c1-30-23-13-12-19(14-24(23)33-20-10-6-7-11-20)21-15-27(16-22(21)25(28)31-2)26(29)32-17-18-8-4-3-5-9-18/h3-5,8-9,12-14,20-22H,6-7,10-11,15-17H2,1-2H3/t21-,22+/m0/s1
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50n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285050
PNG
(CHEMBL59386 | methyl 3-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)[N+]([O-])=O)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C18H24N2O6/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-19(18(21)25-2)11-15(14)20(22)23/h7-9,13-15H,3-6,10-11H2,1-2H3/t14-,15+/m0/s1
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60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029955
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16-/m1/s1
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63n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029951
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15-/m1/s1
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70n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285041
PNG
(CHEMBL301053 | methyl 3-cyano-4-(3-cyclopentyloxy-...)
Show SMILES COC(=O)N1C[C@@H](C#N)[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C19H24N2O4/c1-23-17-8-7-13(9-18(17)25-15-5-3-4-6-15)16-12-21(19(22)24-2)11-14(16)10-20/h7-9,14-16H,3-6,11-12H2,1-2H3/t14-,16+/m1/s1
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285057
PNG
(CHEMBL61876 | tert-butyl 3-(3-cyclopentyloxy-4-met...)
Show SMILES COC[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H35NO5/c1-23(2,3)29-22(25)24-13-17(15-26-4)19(14-24)16-10-11-20(27-5)21(12-16)28-18-8-6-7-9-18/h10-12,17-19H,6-9,13-15H2,1-5H3/t17-,19-/m0/s1
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80n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285049
PNG
((3S,4R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrr...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1C(O)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H31NO6/c1-22(2,3)29-21(26)23-12-16(17(13-23)20(24)25)14-9-10-18(27-4)19(11-14)28-15-7-5-6-8-15/h9-11,15-17H,5-8,12-13H2,1-4H3,(H,24,25)/t16-,17+/m0/s1
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150n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50048243
PNG
((3S,4R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrr...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
Show InChI InChI=1S/C20H27NO6/c1-24-17-9-8-13(10-18(17)27-14-6-4-5-7-14)15-11-21(20(23)26-3)12-16(15)19(22)25-2/h8-10,14-16H,4-7,11-12H2,1-3H3/t15-,16+/m0/s1
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160n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285061
PNG
(CHEMBL61856 | tert-butyl 3-carbamoyl-4-(3-cyclopen...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1C(N)=O)C(=O)OC(C)(C)C
Show InChI InChI=1S/C22H32N2O5/c1-22(2,3)29-21(26)24-12-16(17(13-24)20(23)25)14-9-10-18(27-4)19(11-14)28-15-7-5-6-8-15/h9-11,15-17H,5-8,12-13H2,1-4H3,(H2,23,25)/t16-,17+/m0/s1
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190n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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220n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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221n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285054
PNG
(1-(tert-butyl) 3-methyl 4-[4-methoxy-3-(3-phenoxyp...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OCCCOc2ccccc2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C27H35NO7/c1-27(2,3)35-26(30)28-17-21(22(18-28)25(29)32-5)19-12-13-23(31-4)24(16-19)34-15-9-14-33-20-10-7-6-8-11-20/h6-8,10-13,16,21-22H,9,14-15,17-18H2,1-5H3/t21-,22+/m0/s1
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240n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029953
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-tet...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1COC2=O
Show InChI InChI=1S/C18H23NO4/c1-21-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-19-15(14)11-22-18(19)20/h6-7,10,13-15H,2-5,8-9,11H2,1H3/t14-,15+/m1/s1
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282n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285063
PNG
((3S,4R)-3-tert-Butoxycarbonylamino-4-(3-cyclopenty...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
Show InChI InChI=1S/C29H38N2O6/c1-29(2,3)37-27(32)30-24-18-31(28(33)35-19-20-10-6-5-7-11-20)17-23(24)21-14-15-25(34-4)26(16-21)36-22-12-8-9-13-22/h5-7,10-11,14-16,22-24H,8-9,12-13,17-19H2,1-4H3,(H,30,32)/t23-,24+/m0/s1
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290n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029957
PNG
((7R,7aS)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CCC2=O
Show InChI InChI=1S/C19H25NO3/c1-22-17-8-6-13(12-18(17)23-14-4-2-3-5-14)15-10-11-20-16(15)7-9-19(20)21/h6,8,12,14-16H,2-5,7,9-11H2,1H3/t15-,16+/m1/s1
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338n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285062
PNG
(CHEMBL59820 | methyl 3-(3-cyclopentyloxy-4-methoxy...)
Show SMILES CCC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
Show InChI InChI=1S/C21H29NO5/c1-4-18(23)17-13-22(21(24)26-3)12-16(17)14-9-10-19(25-2)20(11-14)27-15-7-5-6-8-15/h9-11,15-17H,4-8,12-13H2,1-3H3/t16-,17+/m0/s1
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350n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285056
PNG
(CHEMBL61284 | methyl 1-amino(thioxo)methyl-4-(3-cy...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(N)=S
Show InChI InChI=1S/C19H26N2O4S/c1-23-16-8-7-12(9-17(16)25-13-5-3-4-6-13)14-10-21(19(20)26)11-15(14)18(22)24-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,26)/t14-,15+/m0/s1
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029956
PNG
(4-(3-Cyclopentyloxy-4-methoxy-benzyl)-imidazolidin...)
Show SMILES COc1ccc(CC2CNC(=O)N2)cc1OC1CCCC1
Show InChI InChI=1S/C16H22N2O3/c1-20-14-7-6-11(8-12-10-17-16(19)18-12)9-15(14)21-13-4-2-3-5-13/h6-7,9,12-13H,2-5,8,10H2,1H3,(H2,17,18,19)
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447n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50048245
PNG
((3S,4R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrr...)
Show SMILES CCOC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
Show InChI InChI=1S/C21H29NO6/c1-4-27-20(23)17-13-22(21(24)26-3)12-16(17)14-9-10-18(25-2)19(11-14)28-15-7-5-6-8-15/h9-11,15-17H,4-8,12-13H2,1-3H3/t16-,17+/m0/s1
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550n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50029952
PNG
((7R,7aR)-7-(3-Cyclopentyloxy-4-methoxy-phenyl)-hex...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H]1CCN2[C@H]1CNC2=O
Show InChI InChI=1S/C18H24N2O3/c1-22-16-7-6-12(10-17(16)23-13-4-2-3-5-13)14-8-9-20-15(14)11-19-18(20)21/h6-7,10,13-15H,2-5,8-9,11H2,1H3,(H,19,21)/t14-,15+/m1/s1
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583n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285043
PNG
(CHEMBL61727 | methyl 4-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C=O
Show InChI InChI=1S/C19H25NO5/c1-23-17-8-7-13(9-18(17)25-14-5-3-4-6-14)15-10-20(12-21)11-16(15)19(22)24-2/h7-9,12,14-16H,3-6,10-11H2,1-2H3/t15-,16+/m0/s1
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810n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285048
PNG
(CHEMBL294657 | methyl 4-(3-cyclopentyloxy-4-methox...)
Show SMILES CCC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC
Show InChI InChI=1S/C21H29NO5/c1-4-20(23)22-12-16(17(13-22)21(24)26-3)14-9-10-18(25-2)19(11-14)27-15-7-5-6-8-15/h9-11,15-17H,4-8,12-13H2,1-3H3/t16-,17+/m0/s1
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1.13E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285053
PNG
(1-(tert-butyl) 3-methyl 4-(3,4-dimethoxyphenyl)-(3...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C19H27NO6/c1-19(2,3)26-18(22)20-10-13(14(11-20)17(21)25-6)12-7-8-15(23-4)16(9-12)24-5/h7-9,13-14H,10-11H2,1-6H3/t13-,14+/m0/s1
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1.20E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285039
PNG
(CHEMBL305540 | benzyl 3-(3-cyclopentyloxy-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1NS(C)(=O)=O)C(=O)OCc1ccccc1
Show InChI InChI=1S/C25H32N2O6S/c1-31-23-13-12-19(14-24(23)33-20-10-6-7-11-20)21-15-27(16-22(21)26-34(2,29)30)25(28)32-17-18-8-4-3-5-9-18/h3-5,8-9,12-14,20-22,26H,6-7,10-11,15-17H2,1-2H3/t21-,22+/m0/s1
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1.47E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285055
PNG
(CHEMBL60829 | methyl 1-carbamoyl-4-(3-cyclopentylo...)
Show SMILES COC(=O)[C@@H]1CN(C[C@H]1c1ccc(OC)c(OC2CCCC2)c1)C(N)=O
Show InChI InChI=1S/C19H26N2O5/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-21(19(20)23)11-15(14)18(22)25-2/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,23)/t14-,15+/m0/s1
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1.48E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285046
PNG
((3S,4R)-3-Carbamoyl-4-(3-cyclopentyloxy-4-methoxy-...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(N)=O
Show InChI InChI=1S/C19H26N2O5/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-21(19(23)25-2)11-15(14)18(20)22/h7-9,13-15H,3-6,10-11H2,1-2H3,(H2,20,22)/t14-,15+/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285040
PNG
((3S,4R)-3-tert-Butoxycarbonylamino-4-(3-cyclopenty...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C26H40N2O6/c1-25(2,3)33-23(29)27-20-16-28(24(30)34-26(4,5)6)15-19(20)17-12-13-21(31-7)22(14-17)32-18-10-8-9-11-18/h12-14,18-20H,8-11,15-16H2,1-7H3,(H,27,29)/t19-,20+/m0/s1
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1.57E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285047
PNG
((3S,4R)-4-(3-Cyclopentyloxy-4-methoxy-phenyl)-pyrr...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(O)=O
Show InChI InChI=1S/C19H25NO6/c1-24-16-8-7-12(9-17(16)26-13-5-3-4-6-13)14-10-20(19(23)25-2)11-15(14)18(21)22/h7-9,13-15H,3-6,10-11H2,1-2H3,(H,21,22)/t14-,15+/m0/s1
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1.88E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(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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1.93E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 4B


J Med Chem 38: 4848-54 (1996)


BindingDB Entry DOI: 10.7270/Q2DZ079X
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285052
PNG
(3-isopropyl 1-methyl 4-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)C
Show InChI InChI=1S/C22H31NO6/c1-14(2)28-21(24)18-13-23(22(25)27-4)12-17(18)15-9-10-19(26-3)20(11-15)29-16-7-5-6-8-16/h9-11,14,16-18H,5-8,12-13H2,1-4H3/t17-,18+/m0/s1
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2.29E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285051
PNG
(CHEMBL291853 | benzyl 3-(3-cyclopentyloxy-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CN(C[C@H]1NS(=O)(=O)c1ccccc1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C30H34N2O6S/c1-36-28-17-16-23(18-29(28)38-24-12-8-9-13-24)26-19-32(30(33)37-21-22-10-4-2-5-11-22)20-27(26)31-39(34,35)25-14-6-3-7-15-25/h2-7,10-11,14-18,24,26-27,31H,8-9,12-13,19-21H2,1H3/t26-,27+/m0/s1
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4.42E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285060
PNG
(3-(tert-butyl) 1-methyl 4-(3-cyclopentyloxy-4-meth...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C23H33NO6/c1-23(2,3)30-21(25)18-14-24(22(26)28-5)13-17(18)15-10-11-19(27-4)20(12-15)29-16-8-6-7-9-16/h10-12,16-18H,6-9,13-14H2,1-5H3/t17-,18+/m0/s1
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4.63E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285044
PNG
(CHEMBL301622 | methyl 3-benzoyl-4-(3-cyclopentylox...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H29NO5/c1-29-22-13-12-18(14-23(22)31-19-10-6-7-11-19)20-15-26(25(28)30-2)16-21(20)24(27)17-8-4-3-5-9-17/h3-5,8-9,12-14,19-21H,6-7,10-11,15-16H2,1-2H3/t20-,21+/m0/s1
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6.03E+3n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
Phosphodiesterase 7


(Homo sapiens (Human))
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of human Phosphodiesterase 7


J Med Chem 38: 4972-5 (1996)


BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50285058
PNG
((3S,4R)-3-tert-Butoxycarbonylamino-4-(3-cyclopenty...)
Show SMILES COC(=O)N1C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C23H34N2O6/c1-23(2,3)31-21(26)24-18-14-25(22(27)29-5)13-17(18)15-10-11-19(28-4)20(12-15)30-16-8-6-7-9-16/h10-12,16-18H,6-9,13-14H2,1-5H3,(H,24,26)/t17-,18+/m0/s1
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1.44E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Ability to inhibit the catalytic activity of human Phosphodiesterase 4B (PDE IVB)


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 isolated from human trachea


J Med Chem 38: 4972-5 (1996)


BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
Phosphodiesterase 2A


(Bos taurus)
BDBM50048241
PNG
((3S,4S)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@@H](c2ccc(OC)c(OC3CCCC3)c2)[C@@](C)(C1)C(C)=O
Show InChI InChI=1S/C21H29NO5/c1-14(23)21(2)13-22(20(24)26-4)12-17(21)15-9-10-18(25-3)19(11-15)27-16-7-5-6-8-16/h9-11,16-17H,5-8,12-13H2,1-4H3/t17-,21-/m0/s1
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Glaxo Wellcome Research

Curated by ChEMBL


Assay Description
Inhibition of bovine Phosphodiesterase 2


J Med Chem 38: 4972-5 (1996)


BindingDB Entry DOI: 10.7270/Q24748ZN
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50048248
PNG
((3S,4R)-3-Acetyl-4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COC(=O)N1C[C@H]([C@@H](C1)c1ccc(OC)c(OC2CCCC2)c1)C(C)=O
Show InChI InChI=1S/C20H27NO5/c1-13(22)16-11-21(20(23)25-3)12-17(16)14-8-9-18(24-2)19(10-14)26-15-6-4-5-7-15/h8-10,15-17H,4-7,11-12H2,1-3H3/t16-,17-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of rolipram binding to Phosphodiesterase 4B


Bioorg Med Chem Lett 5: 1977-1982 (1995)


Article DOI: 10.1016/0960-894X(95)00336-R
BindingDB Entry DOI: 10.7270/Q2PN95MX
More data for this
Ligand-Target Pair