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Compile Data Set for Download or QSAR

Found 45 hits Enz. Inhib. hit(s) with all data for entry = 50012018   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113399
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccc(N)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-28-25-16-13-21(18-26(25)29-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-14-22(27)15-12-19/h2-4,7-8,11-16,18,23-24H,5-6,9-10,17,27H2,1H3
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423n/an/an/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113373
PNG
(2-Cyclopentyloxy-4-(1,2-diphenyl-ethyl)-1-methoxy-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccccc1)c1ccccc1
Show InChI InChI=1S/C26H28O2/c1-27-25-17-16-22(19-26(25)28-23-14-8-9-15-23)24(21-12-6-3-7-13-21)18-20-10-4-2-5-11-20/h2-7,10-13,16-17,19,23-24H,8-9,14-15,18H2,1H3
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1.17E+3n/an/an/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113366
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(CC1CCNCC1)c1ccccc1
Show InChI InChI=1S/C25H33NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-12,18-19,22-23,26H,5-6,9-10,13-17H2,1H3
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>8.00E+3n/an/an/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113362
PNG
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C28H33N3O3/c1-3-30-28(32)31-23-8-6-7-21(18-23)25(17-20-13-15-29-16-14-20)22-11-12-26(33-2)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25H,3-5,9-10,17H2,1-2H3,(H2,30,31,32)/t25-/m1/s1
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n/an/a 0.300n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113380
PNG
(4-{(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-[4-...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N1CCCS1(=O)=O
Show InChI InChI=1S/C28H32N2O4S/c1-33-27-12-9-23(20-28(27)34-25-5-2-3-6-25)26(19-21-13-15-29-16-14-21)22-7-10-24(11-8-22)30-17-4-18-35(30,31)32/h7-16,20,25-26H,2-6,17-19H2,1H3/t26-/m1/s1
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n/an/a 0.800n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113389
PNG
(CHEMBL285766 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(C)(=O)=O)cc1
Show InChI InChI=1S/C26H30N2O4S/c1-31-25-12-9-21(18-26(25)32-23-5-3-4-6-23)24(17-19-13-15-27-16-14-19)20-7-10-22(11-8-20)28-33(2,29)30/h7-16,18,23-24,28H,3-6,17H2,1-2H3/t24-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113372
PNG
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-thi...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccsc1
Show InChI InChI=1S/C23H25NO2S/c1-25-22-7-6-18(15-23(22)26-20-4-2-3-5-20)21(19-10-13-27-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113377
PNG
(1-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CNC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C27H31N3O3/c1-28-27(31)30-22-10-7-20(8-11-22)24(17-19-13-15-29-16-14-19)21-9-12-25(32-2)26(18-21)33-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3,(H2,28,30,31)/t24-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50064858
PNG
((R)-4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-ph...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1 |r|
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113363
PNG
(CHEMBL286921 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)
Show SMILES CCCC(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C29H34N2O3/c1-3-6-29(32)31-24-12-9-22(10-13-24)26(19-21-15-17-30-18-16-21)23-11-14-27(33-2)28(20-23)34-25-7-4-5-8-25/h9-18,20,25-26H,3-8,19H2,1-2H3,(H,31,32)/t26-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113378
PNG
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-fur...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccoc1
Show InChI InChI=1S/C23H25NO3/c1-25-22-7-6-18(15-23(22)27-20-4-2-3-5-20)21(19-10-13-26-16-19)14-17-8-11-24-12-9-17/h6-13,15-16,20-21H,2-5,14H2,1H3/t21-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113381
PNG
(4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-pyr...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(O)cc1
Show InChI InChI=1S/C25H27NO3/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-26-15-13-18)19-6-9-21(27)10-7-19/h6-15,17,22-23,27H,2-5,16H2,1H3/t23-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113390
PNG
(CHEMBL286118 | Pyrrolidine-1-carboxylic acid {3-[(...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)N2CCCC2)c1
Show InChI InChI=1S/C30H35N3O3/c1-35-28-12-11-24(21-29(28)36-26-9-2-3-10-26)27(19-22-13-15-31-16-14-22)23-7-6-8-25(20-23)32-30(34)33-17-4-5-18-33/h6-8,11-16,20-21,26-27H,2-5,9-10,17-19H2,1H3,(H,32,34)/t27-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113386
PNG
(CHEMBL35011 | Propane-2-sulfonic acid {4-[(R)-1-(3...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)C(C)C)cc1
Show InChI InChI=1S/C28H34N2O4S/c1-20(2)35(31,32)30-24-11-8-22(9-12-24)26(18-21-14-16-29-17-15-21)23-10-13-27(33-3)28(19-23)34-25-6-4-5-7-25/h8-17,19-20,25-26,30H,4-7,18H2,1-3H3/t26-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113392
PNG
(CHEMBL36559 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-meth...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
Show InChI InChI=1S/C31H32N2O4S/c1-36-30-16-13-25(22-31(30)37-27-7-5-6-8-27)29(21-23-17-19-32-20-18-23)24-11-14-26(15-12-24)33-38(34,35)28-9-3-2-4-10-28/h2-4,9-20,22,27,29,33H,5-8,21H2,1H3/t29-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113387
PNG
(4-[(R)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1cc[n+]([O-])cc1)c1ccccc1
Show InChI InChI=1S/C25H27NO3/c1-28-24-12-11-21(18-25(24)29-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26(27)16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113369
PNG
(CHEMBL286421 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1
Show InChI InChI=1S/C31H27F5N2O4S/c1-41-24-11-8-20(17-25(24)42-22-4-2-3-5-22)23(16-18-12-14-37-15-13-18)19-6-9-21(10-7-19)38-43(39,40)31-29(35)27(33)26(32)28(34)30(31)36/h6-15,17,22-23,38H,2-5,16H2,1H3/t23-/m1/s1
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n/an/a 7.5n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113396
PNG
(4-[(R)-2-(3-cyclopentyloxy-4-methoxy-phenyl)-2-pyr...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccncc1
Show InChI InChI=1S/C24H26N2O2/c1-27-23-7-6-20(17-24(23)28-21-4-2-3-5-21)22(19-10-14-26-15-11-19)16-18-8-12-25-13-9-18/h6-15,17,21-22H,2-5,16H2,1H3/t22-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113391
PNG
(CHEMBL287359 | N-{4-[(R)-1-(3-Cyclopentyloxy-4-met...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NS(=O)(=O)Cc2ccccc2)cc1
Show InChI InChI=1S/C32H34N2O4S/c1-37-31-16-13-27(22-32(31)38-29-9-5-6-10-29)30(21-24-17-19-33-20-18-24)26-11-14-28(15-12-26)34-39(35,36)23-25-7-3-2-4-8-25/h2-4,7-8,11-20,22,29-30,34H,5-6,9-10,21,23H2,1H3/t30-/m1/s1
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n/an/a 8n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113404
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(3-fluo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1cccc(F)c1
Show InChI InChI=1S/C25H26FNO2/c1-28-24-10-9-20(17-25(24)29-22-7-2-3-8-22)23(15-18-11-13-27-14-12-18)19-5-4-6-21(26)16-19/h4-6,9-14,16-17,22-23H,2-3,7-8,15H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113364
PNG
(CHEMBL416399 | N-(methylsulfonyl)-N-[4-(1-{3-cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(cc1)N(S(C)(=O)=O)S(C)(=O)=O
Show InChI InChI=1S/C27H32N2O6S2/c1-34-26-13-10-22(19-27(26)35-24-6-4-5-7-24)25(18-20-14-16-28-17-15-20)21-8-11-23(12-9-21)29(36(2,30)31)37(3,32)33/h8-17,19,24-25H,4-7,18H2,1-3H3/t25-/m1/s1
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n/an/a 9n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113371
PNG
(CHEMBL289012 | Pyrrolidine-1-carboxylic acid {4-[(...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(NC(=O)N2CCCC2)cc1
Show InChI InChI=1S/C30H35N3O3/c1-35-28-13-10-24(21-29(28)36-26-6-2-3-7-26)27(20-22-14-16-31-17-15-22)23-8-11-25(12-9-23)32-30(34)33-18-4-5-19-33/h8-17,21,26-27H,2-7,18-20H2,1H3,(H,32,34)/t27-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113385
PNG
(3-{4-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCN(CC)C(=O)Nc1ccc(cc1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C30H37N3O3/c1-4-33(5-2)30(34)32-25-13-10-23(11-14-25)27(20-22-16-18-31-19-17-22)24-12-15-28(35-3)29(21-24)36-26-8-6-7-9-26/h10-19,21,26-27H,4-9,20H2,1-3H3,(H,32,34)/t27-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113367
PNG
(CHEMBL287167 | N,N-dimethyl-N'-{3-[(1S)-1-{3-cyclo...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NS(=O)(=O)N(C)C)c1
Show InChI InChI=1S/C27H33N3O4S/c1-30(2)35(31,32)29-23-8-6-7-21(18-23)25(17-20-13-15-28-16-14-20)22-11-12-26(33-3)27(19-22)34-24-9-4-5-10-24/h6-8,11-16,18-19,24-25,29H,4-5,9-10,17H2,1-3H3/t25-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113401
PNG
(3-{3-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCN(C)C(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C29H35N3O3/c1-4-32(2)29(33)31-24-9-7-8-22(19-24)26(18-21-14-16-30-17-15-21)23-12-13-27(34-3)28(20-23)35-25-10-5-6-11-25/h7-9,12-17,19-20,25-26H,4-6,10-11,18H2,1-3H3,(H,31,33)/t26-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113361
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(4-meth...)
Show SMILES COc1ccc(cc1)C(Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C26H29NO3/c1-28-22-10-7-20(8-11-22)24(17-19-13-15-27-16-14-19)21-9-12-25(29-2)26(18-21)30-23-5-3-4-6-23/h7-16,18,23-24H,3-6,17H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113382
PNG
(4-(2-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-phenyl...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3
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n/an/a 18n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113393
PNG
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C27H31N3O3/c1-28-27(31)30-22-7-5-6-20(17-22)24(16-19-12-14-29-15-13-19)21-10-11-25(32-2)26(18-21)33-23-8-3-4-9-23/h5-7,10-15,17-18,23-24H,3-4,8-9,16H2,1-2H3,(H2,28,30,31)/t24-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113383
PNG
((3-{1-[3-((R)-Cyclopentyloxy)-4-methoxy-phenyl]-2-...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(N)=O)c1
Show InChI InChI=1S/C26H29N3O3/c1-31-24-10-9-20(17-25(24)32-22-7-2-3-8-22)23(15-18-11-13-28-14-12-18)19-5-4-6-21(16-19)29-26(27)30/h4-6,9-14,16-17,22-23H,2-3,7-8,15H2,1H3,(H3,27,29,30)/t23-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113398
PNG
(3-{3-[(R)-1-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCN(CC)C(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C30H37N3O3/c1-4-33(5-2)30(34)32-25-10-8-9-23(20-25)27(19-22-15-17-31-18-16-22)24-13-14-28(35-3)29(21-24)36-26-11-6-7-12-26/h8-10,13-18,20-21,26-27H,4-7,11-12,19H2,1-3H3,(H,32,34)/t27-/m1/s1
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n/an/a 27n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113370
PNG
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)NC(C)C)c1
Show InChI InChI=1S/C29H35N3O3/c1-20(2)31-29(33)32-24-8-6-7-22(18-24)26(17-21-13-15-30-16-14-21)23-11-12-27(34-3)28(19-23)35-25-9-4-5-10-25/h6-8,11-16,18-20,25-26H,4-5,9-10,17H2,1-3H3,(H2,31,32,33)/t26-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113365
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncn1)c1ccccc1
Show InChI InChI=1S/C24H26N2O2/c1-27-23-12-11-19(15-24(23)28-21-9-5-6-10-21)22(18-7-3-2-4-8-18)16-20-13-14-25-17-26-20/h2-4,7-8,11-15,17,21-22H,5-6,9-10,16H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113402
PNG
(5-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1cncn1C)c1ccccc1
Show InChI InChI=1S/C24H28N2O2/c1-26-17-25-16-20(26)15-22(18-8-4-3-5-9-18)19-12-13-23(27-2)24(14-19)28-21-10-6-7-11-21/h3-5,8-9,12-14,16-17,21-22H,6-7,10-11,15H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113400
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(4-fluo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H26FNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113368
PNG
(1-{3-[1-((R)-3-Cyclopentyloxy-4-methoxy-phenyl)-2-...)
Show SMILES CCCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C29H35N3O3/c1-3-15-31-29(33)32-24-8-6-7-22(19-24)26(18-21-13-16-30-17-14-21)23-11-12-27(34-2)28(20-23)35-25-9-4-5-10-25/h6-8,11-14,16-17,19-20,25-26H,3-5,9-10,15,18H2,1-2H3,(H2,31,32,33)/t26-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113394
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(3-meth...)
Show SMILES COc1cccc(c1)C(Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C26H29NO3/c1-28-23-9-5-6-20(17-23)24(16-19-12-14-27-15-13-19)21-10-11-25(29-2)26(18-21)30-22-7-3-4-8-22/h5-6,9-15,17-18,22,24H,3-4,7-8,16H2,1-2H3
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n/an/a 58n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113384
PNG
(4-[(R)-2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-m...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H26ClNO2/c1-28-24-11-8-20(17-25(24)29-22-4-2-3-5-22)23(16-18-12-14-27-15-13-18)19-6-9-21(26)10-7-19/h6-15,17,22-23H,2-5,16H2,1H3/t23-/m1/s1
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n/an/a 68n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113388
PNG
(4-[(R)-2-(3-Benzyloxy-phenyl)-2-(3-cyclopentyloxy-...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(OCc2ccccc2)c1
Show InChI InChI=1S/C32H33NO3/c1-34-31-15-14-27(22-32(31)36-28-11-5-6-12-28)30(20-24-16-18-33-19-17-24)26-10-7-13-29(21-26)35-23-25-8-3-2-4-9-25/h2-4,7-10,13-19,21-22,28,30H,5-6,11-12,20,23H2,1H3/t30-/m1/s1
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n/an/a 102n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113375
PNG
(1-Butyl-3-{3-[1-((R)-3-cyclopentyloxy-4-methoxy-ph...)
Show SMILES CCCCNC(=O)Nc1cccc(c1)[C@@H](Cc1ccncc1)c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C30H37N3O3/c1-3-4-16-32-30(34)33-25-9-7-8-23(20-25)27(19-22-14-17-31-18-15-22)24-12-13-28(35-2)29(21-24)36-26-10-5-6-11-26/h7-9,12-15,17-18,20-21,26-27H,3-6,10-11,16,19H2,1-2H3,(H2,32,33,34)/t27-/m1/s1
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n/an/a 113n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113376
PNG
(1-tert-Butyl-3-{3-[1-((R)-3-cyclopentyloxy-4-metho...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@H](Cc1ccncc1)c1cccc(NC(=O)NC(C)(C)C)c1
Show InChI InChI=1S/C30H37N3O3/c1-30(2,3)33-29(34)32-24-9-7-8-22(19-24)26(18-21-14-16-31-17-15-21)23-12-13-27(35-4)28(20-23)36-25-10-5-6-11-25/h7-9,12-17,19-20,25-26H,5-6,10-11,18H2,1-4H3,(H2,32,33,34)/t26-/m1/s1
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n/an/a 137n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113395
PNG
(4-[(S)-2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H](Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-24-12-11-21(18-25(24)28-22-9-5-6-10-22)23(20-7-3-2-4-8-20)17-19-13-15-26-16-14-19/h2-4,7-8,11-16,18,22-23H,5-6,9-10,17H2,1H3/t23-/m0/s1
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n/an/a 148n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113397
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(2-fluo...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccccc1F
Show InChI InChI=1S/C25H26FNO2/c1-28-24-11-10-19(17-25(24)29-20-6-2-3-7-20)22(16-18-12-14-27-15-13-18)21-8-4-5-9-23(21)26/h4-5,8-15,17,20,22H,2-3,6-7,16H2,1H3
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n/an/a 158n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113374
PNG
(3-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-24-14-13-21(17-25(24)28-22-11-5-6-12-22)23(20-9-3-2-4-10-20)16-19-8-7-15-26-18-19/h2-4,7-10,13-15,17-18,22-23H,5-6,11-12,16H2,1H3
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n/an/a 172n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113403
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-(2-meth...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccccc1OC
Show InChI InChI=1S/C26H29NO3/c1-28-24-10-6-5-9-22(24)23(17-19-13-15-27-16-14-19)20-11-12-25(29-2)26(18-20)30-21-7-3-4-8-21/h5-6,9-16,18,21,23H,3-4,7-8,17H2,1-2H3
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n/an/a 259n/an/an/an/an/an/a



Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50113379
PNG
(4-[2-(3-Cyclopentyloxy-4-methoxy-phenyl)-2-phenyl-...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1ccc(cc1)C(O)=O)c1ccccc1
Show InChI InChI=1S/C27H28O4/c1-30-25-16-15-22(18-26(25)31-23-9-5-6-10-23)24(20-7-3-2-4-8-20)17-19-11-13-21(14-12-19)27(28)29/h2-4,7-8,11-16,18,23-24H,5-6,9-10,17H2,1H3,(H,28,29)
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Celltech R&D Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant phosphodiesterase 4A


Bioorg Med Chem Lett 12: 1451-6 (2002)


BindingDB Entry DOI: 10.7270/Q22J6B5D
More data for this
Ligand-Target Pair