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Compile Data Set for Download or QSAR

Found 44 hits from Chiroscience Ltd   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
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 20n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Relative inhibition of phosphodiesterase 4 activity and Rolipram binding to PDE4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216272
PNG
(CHEMBL415474)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1c2ccccc2c(cc1=O)-c1ccccc1
Show InChI InChI=1S/C23H19NO5S/c1-28-21-13-12-17(14-22(21)29-2)30(26,27)24-20-11-7-6-10-18(20)19(15-23(24)25)16-8-4-3-5-9-16/h3-15H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216262
PNG
(CHEMBL90278)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
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n/an/a 500n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216269
PNG
(CHEMBL410340)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1c(cc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C23H19NO5S/c1-28-21-13-12-18(15-22(21)29-2)30(26,27)24-20(16-8-4-3-5-9-16)14-17-10-6-7-11-19(17)23(24)25/h3-15H,1-2H3
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n/an/a 600n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216291
PNG
(CHEMBL88948)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1c(cc2ncccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C22H18N2O5S/c1-28-20-11-10-16(13-21(20)29-2)30(26,27)24-19(15-7-4-3-5-8-15)14-18-17(22(24)25)9-6-12-23-18/h3-14H,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216284
PNG
(CHEMBL420805)
Show SMILES COc1ccc(cc1OCCCCCc1ccccc1)S(=O)(=O)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C25H30N2O6S2/c1-32-24-15-14-23(18-25(24)33-17-8-4-7-12-21-10-5-3-6-11-21)35(30,31)27(34(2,28)29)20-22-13-9-16-26-19-22/h3,5-6,9-11,13-16,18-19H,4,7-8,12,17,20H2,1-2H3
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50071804
PNG
(CHEMBL314962 | N-Furan-2-ylmethyl-3,4-dimethoxy-N-...)
Show SMILES CCCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H21NO5S/c1-4-9-17(12-13-6-5-10-22-13)23(18,19)14-7-8-15(20-2)16(11-14)21-3/h5-8,10-11H,4,9,12H2,1-3H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216265
PNG
(CHEMBL91526)
Show SMILES CCCN(Cc1ccc(cc1)C(=O)NC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H26N2O5S/c1-5-12-22(14-15-6-8-16(9-7-15)20(23)21-2)28(24,25)17-10-11-18(26-3)19(13-17)27-4/h6-11,13H,5,12,14H2,1-4H3,(H,21,23)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216275
PNG
(CHEMBL315963)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O6S2/c1-26-18-10-9-17(12-19(18)27-16-7-3-4-8-16)29(24,25)21(28(2,22)23)14-15-6-5-11-20-13-15/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3
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n/an/a 2.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216273
PNG
(CHEMBL88399)
Show SMILES COc1ccc2CCC(NS(=O)(=O)c3ccc(OC)c(OC)c3)c2c1
Show InChI InChI=1S/C18H21NO5S/c1-22-13-6-4-12-5-8-16(15(12)10-13)19-25(20,21)14-7-9-17(23-2)18(11-14)24-3/h4,6-7,9-11,16,19H,5,8H2,1-3H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216274
PNG
(CHEMBL88524)
Show SMILES COc1ccc(cc1OC)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C18H19NO3/c1-21-16-10-8-13(11-17(16)22-2)18(20)19-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15H,7,9H2,1-2H3,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216292
PNG
(CHEMBL89478)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1cccnc1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H25N3O8S3/c1-32-21-11-10-20(15-22(21)33-2)36(30,31)25(17-18-7-6-12-23-16-18)34(26,27)14-13-24-35(28,29)19-8-4-3-5-9-19/h3-12,15-16,24H,13-14,17H2,1-2H3
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Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
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 3.50E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216262
PNG
(CHEMBL90278)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)n1ccc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO5S/c1-22-15-8-7-13(11-16(15)23-2)24(20,21)18-10-9-12-5-3-4-6-14(12)17(18)19/h3-11H,1-2H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of Rolipram binding to phosphodiesterase 4 at 20 uM


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216289
PNG
(CHEMBL88384)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C1CCc2ccccc12
Show InChI InChI=1S/C20H22N2O4S/c1-25-19-11-9-16(14-20(19)26-2)27(23,24)22(13-5-12-21)18-10-8-15-6-3-4-7-17(15)18/h3-4,6-7,9,11,14,18H,5,8,10,13H2,1-2H3
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n/an/a 4.10E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216265
PNG
(CHEMBL91526)
Show SMILES CCCN(Cc1ccc(cc1)C(=O)NC)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H26N2O5S/c1-5-12-22(14-15-6-8-16(9-7-15)20(23)21-2)28(24,25)17-10-11-18(26-3)19(13-17)27-4/h6-11,13H,5,12,14H2,1-4H3,(H,21,23)
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n/an/a 4.30E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216287
PNG
(CHEMBL313600)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N1CCc2ccccc12
Show InChI InChI=1S/C16H17NO4S/c1-20-15-8-7-13(11-16(15)21-2)22(18,19)17-10-9-12-5-3-4-6-14(12)17/h3-8,11H,9-10H2,1-2H3
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n/an/a 4.30E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216275
PNG
(CHEMBL315963)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C19H24N2O6S2/c1-26-18-10-9-17(12-19(18)27-16-7-3-4-8-16)29(24,25)21(28(2,22)23)14-15-6-5-11-20-13-15/h5-6,9-13,16H,3-4,7-8,14H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216260
PNG
(CHEMBL313397)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccccc1)Cc1cccnc1
Show InChI InChI=1S/C21H22N2O4S/c1-26-20-11-10-19(13-21(20)27-2)28(24,25)23(15-17-7-4-3-5-8-17)16-18-9-6-12-22-14-18/h3-14H,15-16H2,1-2H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216283
PNG
(CHEMBL328733)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NC1CCc2cc(Cl)ccc12
Show InChI InChI=1S/C17H18ClNO4S/c1-22-16-8-5-13(10-17(16)23-2)24(20,21)19-15-7-3-11-9-12(18)4-6-14(11)15/h4-6,8-10,15,19H,3,7H2,1-2H3
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n/an/a 5.20E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216263
PNG
(CHEMBL313096)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccccn1)C1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O4S/c1-28-22-13-11-19(15-23(22)29-2)30(26,27)25(16-18-8-5-6-14-24-18)21-12-10-17-7-3-4-9-20(17)21/h3-9,11,13-15,21H,10,12,16H2,1-2H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216271
PNG
(CHEMBL92362)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C15H18N2O6S2/c1-22-14-7-6-13(9-15(14)23-2)25(20,21)17(24(3,18)19)11-12-5-4-8-16-10-12/h4-10H,11H2,1-3H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216270
PNG
(CHEMBL315779)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C17H19NO4S/c1-21-16-10-8-13(11-17(16)22-2)23(19,20)18-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15,18H,7,9H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216285
PNG
(CHEMBL328945)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)C1CCCc2ccccc12
Show InChI InChI=1S/C21H24N2O4S/c1-26-20-12-11-17(15-21(20)27-2)28(24,25)23(14-6-13-22)19-10-5-8-16-7-3-4-9-18(16)19/h3-4,7,9,11-12,15,19H,5-6,8,10,14H2,1-2H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216288
PNG
(CHEMBL88699)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1ccccc1)Cc1ccccn1
Show InChI InChI=1S/C21H22N2O4S/c1-26-20-12-11-19(14-21(20)27-2)28(24,25)23(15-17-8-4-3-5-9-17)16-18-10-6-7-13-22-18/h3-14H,15-16H2,1-2H3
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n/an/a 7.80E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216261
PNG
(CHEMBL88775)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1cccnc1)C1CCc2ccccc12
Show InChI InChI=1S/C23H24N2O4S/c1-28-22-12-10-19(14-23(22)29-2)30(26,27)25(16-17-6-5-13-24-15-17)21-11-9-18-7-3-4-8-20(18)21/h3-8,10,12-15,21H,9,11,16H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216266
PNG
(CHEMBL86946)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCCC#N)Cc1ccco1
Show InChI InChI=1S/C17H20N2O5S/c1-22-16-8-7-15(12-17(16)23-2)25(20,21)19(10-4-3-9-18)13-14-6-5-11-24-14/h5-8,11-12H,3-4,10,13H2,1-2H3
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n/an/a 9.00E+3n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216268
PNG
(CHEMBL89513)
Show SMILES COC(=O)CN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H19NO7S/c1-21-14-7-6-13(9-15(14)22-2)25(19,20)17(11-16(18)23-3)10-12-5-4-8-24-12/h4-9H,10-11H2,1-3H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216267
PNG
(CHEMBL86997)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)Cc1ccco1
Show InChI InChI=1S/C16H18N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h3,5-7,10-11H,4,9,12H2,1-2H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216281
PNG
(CHEMBL314122)
Show SMILES COc1ccc(cc1OC1CCCC1)S(=O)(=O)N(CCC#N)Cc1ccco1
Show InChI InChI=1S/C20H24N2O5S/c1-25-19-10-9-18(14-20(19)27-16-6-2-3-7-16)28(23,24)22(12-5-11-21)15-17-8-4-13-26-17/h4,8-10,13-14,16H,2-3,5-7,12,15H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216274
PNG
(CHEMBL88524)
Show SMILES COc1ccc(cc1OC)C(=O)NC1CCc2ccccc12
Show InChI InChI=1S/C18H19NO3/c1-21-16-10-8-13(11-17(16)22-2)18(20)19-15-9-7-12-5-3-4-6-14(12)15/h3-6,8,10-11,15H,7,9H2,1-2H3,(H,19,20)
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n/an/a 1.10E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50071804
PNG
(CHEMBL314962 | N-Furan-2-ylmethyl-3,4-dimethoxy-N-...)
Show SMILES CCCN(Cc1ccco1)S(=O)(=O)c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C16H21NO5S/c1-4-9-17(12-13-6-5-10-22-13)23(18,19)14-7-8-15(20-2)16(11-14)21-3/h5-8,10-11H,4,9,12H2,1-3H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216259
PNG
(CHEMBL430828)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCCC#N
Show InChI InChI=1S/C11H14N2O4S/c1-16-10-5-4-9(8-11(10)17-2)18(14,15)13-7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
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n/an/a 1.76E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216264
PNG
(CHEMBL327835)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)CC1CCCO1
Show InChI InChI=1S/C16H22N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h6-7,11,13H,3-5,9-10,12H2,1-2H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216282
PNG
(CHEMBL330581)
Show SMILES COc1ccc(cc1OC)C(=O)N1CCCc2ccccc12
Show InChI InChI=1S/C18H19NO3/c1-21-16-10-9-14(12-17(16)22-2)18(20)19-11-5-7-13-6-3-4-8-15(13)19/h3-4,6,8-10,12H,5,7,11H2,1-2H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216290
PNG
(CHEMBL88625)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(C)=O)Cc1ccco1
Show InChI InChI=1S/C16H19NO6S/c1-12(18)10-17(11-13-5-4-8-23-13)24(19,20)14-6-7-15(21-2)16(9-14)22-3/h4-9H,10-11H2,1-3H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216292
PNG
(CHEMBL89478)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1cccnc1)S(=O)(=O)CCNS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C22H25N3O8S3/c1-32-21-11-10-20(15-22(21)33-2)36(30,31)25(17-18-7-6-12-23-16-18)34(26,27)14-13-24-35(28,29)19-8-4-3-5-9-19/h3-12,15-16,24H,13-14,17H2,1-2H3
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n/an/a 2.40E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216290
PNG
(CHEMBL88625)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CC(C)=O)Cc1ccco1
Show InChI InChI=1S/C16H19NO6S/c1-12(18)10-17(11-13-5-4-8-23-13)24(19,20)14-6-7-15(21-2)16(9-14)22-3/h4-9H,10-11H2,1-3H3
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n/an/a 3.50E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216259
PNG
(CHEMBL430828)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NCCC#N
Show InChI InChI=1S/C11H14N2O4S/c1-16-10-5-4-9(8-11(10)17-2)18(14,15)13-7-3-6-12/h4-5,8,13H,3,7H2,1-2H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216271
PNG
(CHEMBL92362)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(Cc1cccnc1)S(C)(=O)=O
Show InChI InChI=1S/C15H18N2O6S2/c1-22-14-7-6-13(9-15(14)23-2)25(20,21)17(24(3,18)19)11-12-5-4-8-16-10-12/h4-10H,11H2,1-3H3
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n/an/a 5.00E+4n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216286
PNG
(CHEMBL88119)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)NC1CCCC1
Show InChI InChI=1S/C13H19NO4S/c1-17-12-8-7-11(9-13(12)18-2)19(15,16)14-10-5-3-4-6-10/h7-10,14H,3-6H2,1-2H3
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n/an/a 1.00E+5n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
In vitro binding activity towards catalytic site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(Homo sapiens-Homo sapiens (Human)-Homo sapiens (hu...)
BDBM50216264
PNG
(CHEMBL327835)
Show SMILES COc1ccc(cc1OC)S(=O)(=O)N(CCC#N)CC1CCCO1
Show InChI InChI=1S/C16H22N2O5S/c1-21-15-7-6-14(11-16(15)22-2)24(19,20)18(9-4-8-17)12-13-5-3-10-23-13/h6-7,11,13H,3-5,9-10,12H2,1-2H3
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PubMed
n/an/a 1.12E+5n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Binding activity towards Rolipram binding site of phosphodiesterase 4


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(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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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 at 20 uM


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-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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PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chiroscience Ltd

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 at 20 uM


Bioorg Med Chem Lett 8: 2635-40 (1999)


Article DOI: 10.1016/s0960-894x(98)00491-0
BindingDB Entry DOI: 10.7270/Q2MP52FN
More data for this
Ligand-Target Pair