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PubMed code 10091677

Compile data set for download or QSAR
Found 15 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074976
PNG
(2-[5-(3-Cyclopentyloxy-4-methoxy-phenyl)-furan-2-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(o1)-c1ccccn1
Show InChI InChI=1S/C21H21NO3/c1-23-20-10-9-15(14-21(20)24-16-6-2-3-7-16)18-11-12-19(25-18)17-8-4-5-13-22-17/h4-5,8-14,16H,2-3,6-7H2,1H3
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n/an/a 25n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074972
PNG
(2,5-Bis-(3-cyclopentyloxy-4-methoxy-phenyl)-furan ...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(o1)-c1ccc(OC)c(OC2CCCC2)c1
Show InChI InChI=1S/C28H32O5/c1-29-25-13-11-19(17-27(25)31-21-7-3-4-8-21)23-15-16-24(33-23)20-12-14-26(30-2)28(18-20)32-22-9-5-6-10-22/h11-18,21-22H,3-10H2,1-2H3
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n/an/a 44n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074965
PNG
(4-[5-(3-Cyclopentyloxy-4-methoxy-phenyl)-furan-2-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(o1)-c1ccncc1
Show InChI InChI=1S/C21H21NO3/c1-23-20-7-6-16(14-21(20)24-17-4-2-3-5-17)19-9-8-18(25-19)15-10-12-22-13-11-15/h6-14,17H,2-5H2,1H3
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n/an/a 65n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074974
PNG
(1-[2,5-Bis-(3,4-dimethoxy-phenyl)-furan-3-yl]-etha...)
Show SMILES COc1ccc(cc1OC)-c1cc(C(C)=O)c(o1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C22H22O6/c1-13(23)16-12-19(14-6-8-17(24-2)20(10-14)26-4)28-22(16)15-7-9-18(25-3)21(11-15)27-5/h6-12H,1-5H3
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n/an/a 120n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074968
PNG
(2-[5-(3-Cyclopentyloxy-4-methoxy-phenyl)-furan-2-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(o1)-c1ccc2ccccc2n1
Show InChI InChI=1S/C25H23NO3/c1-27-24-13-11-18(16-25(24)28-19-7-3-4-8-19)22-14-15-23(29-22)21-12-10-17-6-2-5-9-20(17)26-21/h2,5-6,9-16,19H,3-4,7-8H2,1H3
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n/an/a 190n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074977
PNG
((2,5-Diphenyl-furan-3-yl)-phenyl-methanone | CHEMB...)
Show SMILES O=C(c1cc(oc1-c1ccccc1)-c1ccccc1)c1ccccc1
Show InChI InChI=1S/C23H16O2/c24-22(18-12-6-2-7-13-18)20-16-21(17-10-4-1-5-11-17)25-23(20)19-14-8-3-9-15-19/h1-16H
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n/an/a 340n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074969
PNG
(3-[5-(3-Cyclopentyloxy-4-methoxy-phenyl)-furan-2-y...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1ccc(o1)-c1cccnc1
Show InChI InChI=1S/C21H21NO3/c1-23-20-9-8-15(13-21(20)24-17-6-2-3-7-17)18-10-11-19(25-18)16-5-4-12-22-14-16/h4-5,8-14,17H,2-3,6-7H2,1H3
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n/an/a 370n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074967
PNG
(2,5-Bis-(3,4-dimethoxy-phenyl)-furan | CHEMBL11093...)
Show SMILES COc1ccc(cc1OC)-c1ccc(o1)-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C20H20O5/c1-21-17-7-5-13(11-19(17)23-3)15-9-10-16(25-15)14-6-8-18(22-2)20(12-14)24-4/h5-12H,1-4H3
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n/an/a 560n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074975
PNG
(CHEMBL325846 | [2-(3-Cyclopentyloxy-4-methoxy-phen...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1oc(cc1C(=O)c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C28H25NO4/c1-31-24-15-14-20(17-26(24)32-21-11-5-6-12-21)28-22(27(30)19-9-3-2-4-10-19)18-25(33-28)23-13-7-8-16-29-23/h2-4,7-10,13-18,21H,5-6,11-12H2,1H3
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n/an/a 590n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074973
PNG
(2-[3-Benzenesulfonyl-5-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1cc(c(o1)-c1ccccn1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C27H25NO5S/c1-31-23-15-14-19(17-25(23)32-20-9-5-6-10-20)24-18-26(27(33-24)22-13-7-8-16-28-22)34(29,30)21-11-3-2-4-12-21/h2-4,7-8,11-18,20H,5-6,9-10H2,1H3
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n/an/a 740n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074970
PNG
(2-[4-Benzenesulfonyl-5-(3-cyclopentyloxy-4-methoxy...)
Show SMILES COc1ccc(cc1OC1CCCC1)-c1oc(cc1S(=O)(=O)c1ccccc1)-c1ccccn1
Show InChI InChI=1S/C27H25NO5S/c1-31-23-15-14-19(17-25(23)32-20-9-5-6-10-20)27-26(34(29,30)21-11-3-2-4-12-21)18-24(33-27)22-13-7-8-16-28-22/h2-4,7-8,11-18,20H,5-6,9-10H2,1H3
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n/an/a 770n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074966
PNG
(4-(2,5-Diphenyl-furan-3-yl)-morpholine | CHEMBL323...)
Show SMILES C1CN(CCO1)c1cc(oc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19NO2/c1-3-7-16(8-4-1)19-15-18(21-11-13-22-14-12-21)20(23-19)17-9-5-2-6-10-17/h1-10,15H,11-14H2
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n/an/a 2.30E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50042058
PNG
((-)-rolipram | (4R)-4-[3-(cyclopentyloxy)-4-methox...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@@H]1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)/t12-/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074971
PNG
(4-[(R)-2-(4-Cyclopentyloxy-3-methoxy-phenyl)-2-phe...)
Show SMILES COc1cc(ccc1OC1CCCC1)[C@H](Cc1ccncc1)c1ccccc1
Show InChI InChI=1S/C25H27NO2/c1-27-25-18-21(11-12-24(25)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 5.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50074964
PNG
(2,5-diphenylfuran | CHEMBL109224 | PPF)
Show SMILES c1cc(oc1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C16H12O/c1-3-7-13(8-4-1)15-11-12-16(17-15)14-9-5-2-6-10-14/h1-12H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
PDE4A activity assessed using human recombinant purified GST-PDE4A248

Bioorg Med Chem Lett 9: 323-6 (1999)


BindingDB Entry DOI: 10.7270/Q27S7MXX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%