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PubMed code 12031319

Compile data set for download or QSAR
Found 46 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))		BDBM50113417
PNG
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluo...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
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n/an/a 0.5n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113412
PNG
(2-{4'-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy...)
Show SMILES CC(C)(C(O)=O)c1cccc(c1)-c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C31H27F4NO5/c1-31(2,28(37)38)24-5-3-4-22(17-24)20-6-8-21(9-7-20)25(16-19-12-14-36(39)15-13-19)23-10-11-26(40-29(32)33)27(18-23)41-30(34)35/h3-15,17-18,25,29-30H,16H2,1-2H3,(H,37,38)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113419
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-metho...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(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
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n/an/a 2.80n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113423
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES Cc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C29H24F4N2O6S/c1-18-4-2-3-5-23(18)27(36)34-42(38,39)22-9-6-20(7-10-22)24(16-19-12-14-35(37)15-13-19)21-8-11-25(40-28(30)31)26(17-21)41-29(32)33/h2-15,17,24,28-29H,16H2,1H3,(H,34,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113425
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC(c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H17F10NO4/c25-20(26)38-18-6-3-15(12-19(18)39-21(27)28)17(11-13-7-9-35(37)10-8-13)14-1-4-16(5-2-14)22(36,23(29,30)31)24(32,33)34/h1-10,12,17,20-21,36H,11H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
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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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113407
PNG
(CHEMBL285247 | Ethyl-carbamic acid 4-[1-(3,4-bis-d...)
Show SMILES CCNC(=O)OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H24F4N2O5/c1-2-30-25(32)34-15-17-3-5-18(6-4-17)20(13-16-9-11-31(33)12-10-16)19-7-8-21(35-23(26)27)22(14-19)36-24(28)29/h3-12,14,20,23-24H,2,13,15H2,1H3,(H,30,32)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113411
PNG
(CHEMBL36242 | {4-[1-(3,4-Bis-difluoromethoxy-pheny...)
Show SMILES Cc1ccc(nc1)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C28H22F4N2O4/c1-17-2-8-23(33-16-17)26(35)20-5-3-19(4-6-20)22(14-18-10-12-34(36)13-11-18)21-7-9-24(37-27(29)30)25(15-21)38-28(31)32/h2-13,15-16,22,27-28H,14H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113421
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC1(CCC1)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H23F4NO4/c26-23(27)33-21-7-4-18(15-22(21)34-24(28)29)20(14-16-8-12-30(32)13-9-16)17-2-5-19(6-3-17)25(31)10-1-11-25/h2-9,12-13,15,20,23-24,31H,1,10-11,14H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113414
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H22F4N2O4/c1-29(2)22(31)17-5-3-16(4-6-17)19(13-15-9-11-30(32)12-10-15)18-7-8-20(33-23(25)26)21(14-18)34-24(27)28/h3-12,14,19,23-24H,13H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113415
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C)(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H23F4NO4/c1-24(2,30)18-6-3-16(4-7-18)19(13-15-9-11-29(31)12-10-15)17-5-8-20(32-22(25)26)21(14-17)33-23(27)28/h3-12,14,19,22-23,30H,13H2,1-2H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113405
PNG
(4-[2-(3,4-Bis-difluoromethoxy-phenyl)-2-(4-chloro-...)
Show SMILES FC(F)Oc1ccc(cc1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClF4NO2/c22-16-4-1-14(2-5-16)17(11-13-7-9-27-10-8-13)15-3-6-18(28-20(23)24)19(12-15)29-21(25)26/h1-10,12,17,20-21H,11H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113409
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-diflu...)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClF2NO2/c26-20-8-5-18(6-9-20)22(15-17-11-13-29-14-12-17)19-7-10-23(31-25(27)28)24(16-19)30-21-3-1-2-4-21/h5-14,16,21-22,25H,1-4,15H2
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n/an/a 13n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113406
PNG
(4-[2-(4-Chloro-phenyl)-2-(5-cyclopentyloxy-2-fluor...)
Show SMILES COc1cc(F)c(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClFNO2/c1-29-24-16-23(27)22(15-25(24)30-20-4-2-3-5-20)21(14-17-10-12-28-13-11-17)18-6-8-19(26)9-7-18/h6-13,15-16,20-21H,2-5,14H2,1H3
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113424
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC1(CC1)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H21F4NO4/c25-22(26)32-20-6-3-17(14-21(20)33-23(27)28)19(13-15-7-11-29(31)12-8-15)16-1-4-18(5-2-16)24(30)9-10-24/h1-8,11-12,14,19,22-23,30H,9-10,13H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113426
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES OC(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C22H17F4NO5/c23-21(24)31-18-6-5-16(12-19(18)32-22(25)26)17(11-13-7-9-27(30)10-8-13)14-1-3-15(4-2-14)20(28)29/h1-10,12,17,21-22H,11H2,(H,28,29)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113416
PNG
(5-[1-(4-Chloro-phenyl)-2-pyridin-4-yl-ethyl]-2,3-b...)
Show SMILES [O-][n+]1cc(cc(OC(F)F)c1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF4N2O3/c21-15-3-1-13(2-4-15)16(9-12-5-7-26-8-6-12)14-10-17(29-19(22)23)18(27(28)11-14)30-20(24)25/h1-8,10-11,16,19-20H,9H2
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 38n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113418
PNG
(CHEMBL285500 | {4-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C22H19F4NO4/c23-21(24)30-19-6-5-17(12-20(19)31-22(25)26)18(11-14-7-9-27(29)10-8-14)16-3-1-15(13-28)2-4-16/h1-10,12,18,21-22,28H,11,13H2
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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
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113410
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H21F4NO4/c1-14(29)16-2-4-17(5-3-16)19(12-15-8-10-28(30)11-9-15)18-6-7-20(31-22(24)25)21(13-18)32-23(26)27/h2-11,13-14,19,22-23,29H,12H2,1H3
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n/an/a 45n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113420
PNG
(CHEMBL418231 | {4-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES OC(=O)Cc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H19F4NO5/c24-22(25)32-19-6-5-17(13-20(19)33-23(26)27)18(11-15-7-9-28(31)10-8-15)16-3-1-14(2-4-16)12-21(29)30/h1-10,13,18,22-23H,11-12H2,(H,29,30)
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n/an/a 53n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113413
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-2-fluor...)
Show SMILES COc1ccc(C(Cc2ccncc2)c2ccc(Cl)cc2)c(F)c1OC1CCCC1
Show InChI InChI=1S/C25H25ClFNO2/c1-29-23-11-10-21(24(27)25(23)30-20-4-2-3-5-20)22(16-17-12-14-28-15-13-17)18-6-8-19(26)9-7-18/h6-15,20,22H,2-5,16H2,1H3
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n/an/a 110n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113415
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(C)(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H23F4NO4/c1-24(2,30)18-6-3-16(4-7-18)19(13-15-9-11-29(31)12-10-15)17-5-8-20(32-22(25)26)21(14-17)33-23(27)28/h3-12,14,19,22-23,30H,13H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113421
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC1(CCC1)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H23F4NO4/c26-23(27)33-21-7-4-18(15-22(21)34-24(28)29)20(14-16-8-12-30(32)13-9-16)17-2-5-19(6-3-17)25(31)10-1-11-25/h2-9,12-13,15,20,23-24,31H,1,10-11,14H2
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n/an/a 380n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113407
PNG
(CHEMBL285247 | Ethyl-carbamic acid 4-[1-(3,4-bis-d...)
Show SMILES CCNC(=O)OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C25H24F4N2O5/c1-2-30-25(32)34-15-17-3-5-18(6-4-17)20(13-16-9-11-31(33)12-10-16)19-7-8-21(35-23(26)27)22(14-19)36-24(28)29/h3-12,14,20,23-24H,2,13,15H2,1H3,(H,30,32)
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n/an/a 410n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113418
PNG
(CHEMBL285500 | {4-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES OCc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C22H19F4NO4/c23-21(24)30-19-6-5-17(12-20(19)31-22(25)26)18(11-14-7-9-27(29)10-8-14)16-3-1-15(13-28)2-4-16/h1-10,12,18,21-22,28H,11,13H2
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n/an/a 470n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113410
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES CC(O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H21F4NO4/c1-14(29)16-2-4-17(5-3-16)19(12-15-8-10-28(30)11-9-15)18-6-7-20(31-22(24)25)21(13-18)32-23(26)27/h2-11,13-14,19,22-23,29H,12H2,1H3
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n/an/a 510n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113425
PNG
(2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC(c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H17F10NO4/c25-20(26)38-18-6-3-15(12-19(18)39-21(27)28)17(11-13-7-9-35(37)10-8-13)14-1-4-16(5-2-14)22(36,23(29,30)31)24(32,33)34/h1-10,12,17,20-21,36H,11H2
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n/an/a 670n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113422
PNG
(4-[2-(4-Chloro-phenyl)-2-(2,3-dihydro-benzo[1,4]di...)
Show SMILES Clc1ccc(cc1)C(Cc1ccncc1)c1ccc2OCCOc2c1
Show InChI InChI=1S/C21H18ClNO2/c22-18-4-1-16(2-5-18)19(13-15-7-9-23-10-8-15)17-3-6-20-21(14-17)25-12-11-24-20/h1-10,14,19H,11-13H2
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n/an/a 772n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113411
PNG
(CHEMBL36242 | {4-[1-(3,4-Bis-difluoromethoxy-pheny...)
Show SMILES Cc1ccc(nc1)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C28H22F4N2O4/c1-17-2-8-23(33-16-17)26(35)20-5-3-19(4-6-20)22(14-18-10-12-34(36)13-11-18)21-7-9-24(37-27(29)30)25(15-21)38-28(31)32/h2-13,15-16,22,27-28H,14H2,1H3
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n/an/a 890n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113414
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES CN(C)C(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H22F4N2O4/c1-29(2)22(31)17-5-3-16(4-6-17)19(13-15-9-11-30(32)12-10-15)18-7-8-20(33-23(25)26)21(14-18)34-24(27)28/h3-12,14,19,23-24H,13H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113408
PNG
(4-[2-Benzo[1,3]dioxol-5-yl-2-(4-chloro-phenyl)-eth...)
Show SMILES Clc1ccc(cc1)C(Cc1ccncc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C20H16ClNO2/c21-17-4-1-15(2-5-17)18(11-14-7-9-22-10-8-14)16-3-6-19-20(12-16)24-13-23-19/h1-10,12,18H,11,13H2
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n/an/a>1.00E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113424
PNG
(1-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...)
Show SMILES OC1(CC1)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C24H21F4NO4/c25-22(26)32-20-6-3-17(14-21(20)33-23(27)28)19(13-15-7-11-29(31)12-8-15)16-1-4-18(5-2-16)24(30)9-10-24/h1-8,11-12,14,19,22-23,30H,9-10,13H2
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n/an/a 1.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113417
PNG
(4-{2-(3,4-Bis-difluoromethoxy-phenyl)-2-[4-(4-fluo...)
Show SMILES [O-][n+]1ccc(CC(c2ccc(COc3ccc(F)cc3)cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cc1
Show InChI InChI=1S/C28H22F5NO4/c29-22-6-8-23(9-7-22)36-17-19-1-3-20(4-2-19)24(15-18-11-13-34(35)14-12-18)21-5-10-25(37-27(30)31)26(16-21)38-28(32)33/h1-14,16,24,27-28H,15,17H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113416
PNG
(5-[1-(4-Chloro-phenyl)-2-pyridin-4-yl-ethyl]-2,3-b...)
Show SMILES [O-][n+]1cc(cc(OC(F)F)c1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C20H15ClF4N2O3/c21-15-3-1-13(2-4-15)16(9-12-5-7-26-8-6-12)14-10-17(29-19(22)23)18(27(28)11-14)30-20(24)25/h1-8,10-11,16,19-20H,9H2
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n/an/a 3.80E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113405
PNG
(4-[2-(3,4-Bis-difluoromethoxy-phenyl)-2-(4-chloro-...)
Show SMILES FC(F)Oc1ccc(cc1OC(F)F)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C21H16ClF4NO2/c22-16-4-1-14(2-5-16)17(11-13-7-9-27-10-8-13)15-3-6-18(28-20(23)24)19(12-15)29-21(25)26/h1-10,12,17,20-21H,11H2
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n/an/a 4.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113412
PNG
(2-{4'-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy...)
Show SMILES CC(C)(C(O)=O)c1cccc(c1)-c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C31H27F4NO5/c1-31(2,28(37)38)24-5-3-4-22(17-24)20-6-8-21(9-7-20)25(16-19-12-14-36(39)15-13-19)23-10-11-26(40-29(32)33)27(18-23)41-30(34)35/h3-15,17-18,25,29-30H,16H2,1-2H3,(H,37,38)
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n/an/a 6.50E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113409
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-diflu...)
Show SMILES FC(F)Oc1ccc(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H24ClF2NO2/c26-20-8-5-18(6-9-20)22(15-17-11-13-29-14-12-17)19-7-10-23(31-25(27)28)24(16-19)30-21-3-1-2-4-21/h5-14,16,21-22,25H,1-4,15H2
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n/an/a 8.70E+3n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113419
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-4-metho...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(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
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n/an/a 1.20E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
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 1.60E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50346088
PNG
((1r,4r)-4-cyano-4-(3-(cyclopentyloxy)-4-methoxyphe...)
Show SMILES COc1ccc(cc1OC1CCCC1)[C@]1(CC[C@@H](CC1)C(O)=O)C#N |r,wU:17.22,14.25,(4.79,2.97,;3.46,3.74,;2.12,2.97,;.79,3.74,;-.54,2.97,;-.54,1.43,;.79,.66,;2.12,1.43,;3.46,.66,;3.46,-.88,;4.7,-1.79,;4.23,-3.25,;2.69,-3.25,;2.21,-1.79,;-1.88,.66,;-3.42,.71,;-4.23,-.6,;-3.51,-1.96,;-1.97,-2.01,;-1.16,-.7,;-4.33,-3.26,;-3.6,-4.62,;-5.87,-3.21,;-1.77,2.19,;-1.66,3.73,)|
Show InChI InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20-
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n/an/a 1.80E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113406
PNG
(4-[2-(4-Chloro-phenyl)-2-(5-cyclopentyloxy-2-fluor...)
Show SMILES COc1cc(F)c(cc1OC1CCCC1)C(Cc1ccncc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C25H25ClFNO2/c1-29-24-16-23(27)22(15-25(24)30-20-4-2-3-5-20)21(14-17-10-12-28-13-11-17)18-6-8-19(26)9-7-18/h6-13,15-16,20-21H,2-5,14H2,1H3
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n/an/a>2.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113420
PNG
(CHEMBL418231 | {4-[1-(3,4-Bis-difluoromethoxy-phen...)
Show SMILES OC(=O)Cc1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C23H19F4NO5/c24-22(25)32-19-6-5-17(13-20(19)33-23(26)27)18(11-15-7-9-28(31)10-8-15)16-3-1-14(2-4-16)12-21(29)30/h1-10,13,18,22-23H,11-12H2,(H,29,30)
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n/an/a 5.80E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113423
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES Cc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C29H24F4N2O6S/c1-18-4-2-3-5-23(18)27(36)34-42(38,39)22-9-6-20(7-10-22)24(16-19-12-14-35(37)15-13-19)21-8-11-25(40-28(30)31)26(17-21)41-29(32)33/h2-15,17,24,28-29H,16H2,1H3,(H,34,36)
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n/an/a 7.50E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113426
PNG
(4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-pyr...)
Show SMILES OC(=O)c1ccc(cc1)C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1
Show InChI InChI=1S/C22H17F4NO5/c23-21(24)31-18-6-5-16(12-19(18)32-22(25)26)17(11-13-7-9-27(30)10-8-13)14-1-3-15(4-2-14)20(28)29/h1-10,12,17,21-22H,11H2,(H,28,29)
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n/an/a 7.70E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against human PDE4A isoform using a construct representing the common region of spliced variants expressed as GST-fusion pro...

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))		BDBM50113413
PNG
(4-[2-(4-Chloro-phenyl)-2-(3-cyclopentyloxy-2-fluor...)
Show SMILES COc1ccc(C(Cc2ccncc2)c2ccc(Cl)cc2)c(F)c1OC1CCCC1
Show InChI InChI=1S/C25H25ClFNO2/c1-29-23-11-10-21(24(27)25(23)30-20-4-2-3-5-20)22(16-17-12-14-28-15-13-17)18-6-8-19(26)9-7-18/h6-15,20,22H,2-5,16H2,1H3
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n/an/a 9.80E+4n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibitory concentration of compound against LPS- induced TNF-alpha production in whole human blood assay

Bioorg Med Chem Lett 12: 1457-61 (2002)


BindingDB Entry DOI: 10.7270/Q2KP82PM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%