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Compile Data Set for Download or QSAR

Found 495 hits with Last Name = 'hamel' and Initial = 'p'   
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
Neprilysin


(Homo sapiens (Human))
BDBM50024096
PNG
(((R)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m0/s1
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1.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50024102
PNG
(((S)-2-Mercaptomethyl-3-phenyl-propionylamino)-ace...)
Show SMILES OC(=O)CNC(=O)[C@@H](CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)/t10-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM21641
PNG
(2-(2-benzyl-3-sulfanylpropanamido)acetic acid | CH...)
Show SMILES OC(=O)CNC(=O)C(CS)Cc1ccccc1
Show InChI InChI=1S/C12H15NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,16)(H,14,15)
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4.70n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50288076
PNG
(((E)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acet...)
Show SMILES OC(=O)CNC(=O)C(\CS)=C/c1ccccc1
Show InChI InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-6,17H,7-8H2,(H,13,16)(H,14,15)/b10-6-
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4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50288074
PNG
((2-Benzyl-2-mercaptomethyl-3-phenyl-propionylamino...)
Show SMILES OC(=O)CNC(=O)C(CS)(Cc1ccccc1)Cc1ccccc1
Show InChI InChI=1S/C19H21NO3S/c21-17(22)13-20-18(23)19(14-24,11-15-7-3-1-4-8-15)12-16-9-5-2-6-10-16/h1-10,24H,11-14H2,(H,20,23)(H,21,22)
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>100n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50288077
PNG
(CHEMBL81710 | [(2-Mercaptomethyl-indane-2-carbonyl...)
Show SMILES OC(=O)CNC(=O)C1(CS)Cc2ccccc2C1
Show InChI InChI=1S/C13H15NO3S/c15-11(16)7-14-12(17)13(8-18)5-9-3-1-2-4-10(9)6-13/h1-4,18H,5-8H2,(H,14,17)(H,15,16)
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162n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Angiotensin-converting enzyme


(Rattus norvegicus)
BDBM50288076
PNG
(((E)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acet...)
Show SMILES OC(=O)CNC(=O)C(\CS)=C/c1ccccc1
Show InChI InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-6,17H,7-8H2,(H,13,16)(H,14,15)/b10-6-
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380n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was measured for the inhibition of Angiotensin I converting enzyme


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
Neprilysin


(Homo sapiens (Human))
BDBM50288075
PNG
(((Z)-2-Mercaptomethyl-3-phenyl-acryloylamino)-acet...)
Show SMILES OC(=O)CNC(=O)C(\CS)=C\c1ccccc1
Show InChI InChI=1S/C12H13NO3S/c14-11(15)7-13-12(16)10(8-17)6-9-4-2-1-3-5-9/h1-6,17H,7-8H2,(H,13,16)(H,14,15)/b10-6+
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408n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was evaluated for inhibition of recombinant human neprilysin(NEP).


Bioorg Med Chem Lett 6: 2437-2440 (1996)


Article DOI: 10.1016/0960-894X(96)00448-9
BindingDB Entry DOI: 10.7270/Q2JS9QD0
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274028
PNG
(CHEMBL499477 | N-(3,5-dichloropyridin-4-yl)-1-(3-(...)
Show SMILES Cc1noc(n1)C(=C\c1cccc(c1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12)\c1ccc(cc1)S(C)(=O)=O
Show InChI InChI=1S/C32H22Cl2N6O5S/c1-18-37-32(45-39-18)24(20-8-10-22(11-9-20)46(2,43)44)14-19-5-3-6-21(13-19)40-17-25(29(41)23-7-4-12-36-30(23)40)31(42)38-28-26(33)15-35-16-27(28)34/h3-17H,1-2H3,(H,35,38,42)/b24-14+
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n/an/a 0.0600n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274031
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(=O)c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)Nc2nccc(Cl)c2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C28H18Cl2N4O3/c1-16(35)17-5-2-6-18(13-17)19-7-3-8-20(14-19)34-15-22(25(36)21-9-4-11-32-27(21)34)28(37)33-26-24(30)23(29)10-12-31-26/h2-15H,1H3,(H,31,33,37)
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n/an/a 0.170n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.320n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274188
PNG
(1-(4'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)8-5-13-27-25)21-7-4-6-20(14-21)19-11-9-18(10-12-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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n/an/a 0.340n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347344
PNG
(CHEMBL1801156)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-5-2-12-30-27(22)32(16-25(26)28(34)31-15-17-6-7-17)21-4-1-3-20(13-21)18-8-10-19(11-9-18)23-14-24(23)29(35)36/h1-5,8-13,16-17,23-24H,6-7,14-15H2,(H,31,34)(H,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347344
PNG
(CHEMBL1801156)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-5-2-12-30-27(22)32(16-25(26)28(34)31-15-17-6-7-17)21-4-1-3-20(13-21)18-8-10-19(11-9-18)23-14-24(23)29(35)36/h1-5,8-13,16-17,23-24H,6-7,14-15H2,(H,31,34)(H,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347344
PNG
(CHEMBL1801156)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-5-2-12-30-27(22)32(16-25(26)28(34)31-15-17-6-7-17)21-4-1-3-20(13-21)18-8-10-19(11-9-18)23-14-24(23)29(35)36/h1-5,8-13,16-17,23-24H,6-7,14-15H2,(H,31,34)(H,35,36)
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n/an/a 0.350n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274789
PNG
(1-(3'-Acetyl-biphenyl-3-yl)-4-oxo-1,4-dihydro-[1,8...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2cccc(c2)C(C)=O)c2ncccc2c1=O
Show InChI InChI=1S/C26H23N3O3/c1-16(2)28-26(32)23-15-29(25-22(24(23)31)11-6-12-27-25)21-10-5-9-20(14-21)19-8-4-7-18(13-19)17(3)30/h4-16H,1-3H3,(H,28,32)
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n/an/a 0.370n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274027
PNG
(1-(4-chlorophenyl)-N-(3,5-dichloropyridin-4-yl)-4-...)
Show SMILES Clc1ccc(cc1)-n1cc(C(=O)Nc2c(Cl)cncc2Cl)c(=O)c2cccnc12
Show InChI InChI=1S/C20H11Cl3N4O2/c21-11-3-5-12(6-4-11)27-10-14(18(28)13-2-1-7-25-19(13)27)20(29)26-17-15(22)8-24-9-16(17)23/h1-10H,(H,24,26,29)
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n/an/a 0.450n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347349
PNG
(CHEMBL1801161)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347349
PNG
(CHEMBL1801161)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347349
PNG
(CHEMBL1801161)
Show SMILES OC(=O)[C@H]1C[C@@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m1/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182306
PNG
(7-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3c(cc(=O)oc3c2)-c2ccccc2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H13F7O3S/c25-15-8-14(22(33,23(26,27)28)24(29,30)31)9-17(10-15)35-16-6-7-18-19(13-4-2-1-3-5-13)12-21(32)34-20(18)11-16/h1-12,33H
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
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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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
Arachidonate 5-lipoxygenase


(Homo sapiens (Human))
BDBM50182303
PNG
(6-(3-fluoro-5-(1,1,1,3,3,3-hexafluoro-2-hydroxypro...)
Show SMILES OC(c1cc(F)cc(Sc2ccc3oc(=O)cc(-c4ccc(F)cc4)c3c2)c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H12F8O3S/c25-14-3-1-12(2-4-14)18-11-21(33)35-20-6-5-16(10-19(18)20)36-17-8-13(7-15(26)9-17)22(34,23(27,28)29)24(30,31)32/h1-11,34H
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of LTB4 production in calcium ionophore A-23187-stimulated human polymorphonuclear leukocyte


Bioorg Med Chem Lett 16: 2528-31 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.085
BindingDB Entry DOI: 10.7270/Q2NV9HVZ
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347343
PNG
(CHEMBL1801155)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C27H20F3N3O4/c28-27(29,30)14-32-25(35)22-13-33(24-19(23(22)34)5-2-10-31-24)18-4-1-3-17(11-18)15-6-8-16(9-7-15)20-12-21(20)26(36)37/h1-11,13,20-21H,12,14H2,(H,32,35)(H,36,37)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347343
PNG
(CHEMBL1801155)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C27H20F3N3O4/c28-27(29,30)14-32-25(35)22-13-33(24-19(23(22)34)5-2-10-31-24)18-4-1-3-17(11-18)15-6-8-16(9-7-15)20-12-21(20)26(36)37/h1-11,13,20-21H,12,14H2,(H,32,35)(H,36,37)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347343
PNG
(CHEMBL1801155)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NCC(F)(F)F)c(=O)c2cccnc12
Show InChI InChI=1S/C27H20F3N3O4/c28-27(29,30)14-32-25(35)22-13-33(24-19(23(22)34)5-2-10-31-24)18-4-1-3-17(11-18)15-6-8-16(9-7-15)20-12-21(20)26(36)37/h1-11,13,20-21H,12,14H2,(H,32,35)(H,36,37)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347345
PNG
(CHEMBL1801157)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CCC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-8-3-13-30-27(22)32(16-25(26)28(34)31-20-5-2-6-20)21-7-1-4-19(14-21)17-9-11-18(12-10-17)23-15-24(23)29(35)36/h1,3-4,7-14,16,20,23-24H,2,5-6,15H2,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347345
PNG
(CHEMBL1801157)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CCC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-8-3-13-30-27(22)32(16-25(26)28(34)31-20-5-2-6-20)21-7-1-4-19(14-21)17-9-11-18(12-10-17)23-15-24(23)29(35)36/h1,3-4,7-14,16,20,23-24H,2,5-6,15H2,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347345
PNG
(CHEMBL1801157)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CCC2)c(=O)c2cccnc12
Show InChI InChI=1S/C29H25N3O4/c33-26-22-8-3-13-30-27(22)32(16-25(26)28(34)31-20-5-2-6-20)21-7-1-4-19(14-21)17-9-11-18(12-10-17)23-15-24(23)29(35)36/h1,3-4,7-14,16,20,23-24H,2,5-6,15H2,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347348
PNG
(CHEMBL1801160)
Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347348
PNG
(CHEMBL1801160)
Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347348
PNG
(CHEMBL1801160)
Show SMILES OC(=O)[C@@H]1C[C@H]1c1ccc(cc1F)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12 |r|
Show InChI InChI=1S/C28H22FN3O4/c29-24-12-16(6-9-19(24)21-13-22(21)28(35)36)15-3-1-4-18(11-15)32-14-23(27(34)31-17-7-8-17)25(33)20-5-2-10-30-26(20)32/h1-6,9-12,14,17,21-22H,7-8,13H2,(H,31,34)(H,35,36)/t21-,22+/m0/s1
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347335
PNG
(CHEMBL1801068)
Show SMILES OC(=O)C1CC1c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-8-3-11-29-26(21)31(15-24(25)27(33)30-19-9-10-19)20-7-2-5-17(13-20)16-4-1-6-18(12-16)22-14-23(22)28(34)35/h1-8,11-13,15,19,22-23H,9-10,14H2,(H,30,33)(H,34,35)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347335
PNG
(CHEMBL1801068)
Show SMILES OC(=O)C1CC1c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-8-3-11-29-26(21)31(15-24(25)27(33)30-19-9-10-19)20-7-2-5-17(13-20)16-4-1-6-18(12-16)22-14-23(22)28(34)35/h1-8,11-13,15,19,22-23H,9-10,14H2,(H,30,33)(H,34,35)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50232731
PNG
(2-{3'-[6-(1-methanesulfonyl-1-methyl-ethyl)-quinol...)
Show SMILES CC(C)(c1cc(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1)S(C)(=O)=O |w:18.19,20.23|
Show InChI InChI=1S/C29H27NO4S/c1-29(2,35(3,33)34)23-15-22-8-5-13-30-27(22)25(16-23)21-7-4-6-20(14-21)18-9-11-19(12-10-18)24-17-26(24)28(31)32/h4-16,24,26H,17H2,1-3H3,(H,31,32)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347335
PNG
(CHEMBL1801068)
Show SMILES OC(=O)C1CC1c1cccc(c1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-8-3-11-29-26(21)31(15-24(25)27(33)30-19-9-10-19)20-7-2-5-17(13-20)16-4-1-6-18(12-16)22-14-23(22)28(34)35/h1-8,11-13,15,19,22-23H,9-10,14H2,(H,30,33)(H,34,35)
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n/an/a 0.540n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347339
PNG
(CHEMBL1801151)
Show SMILES O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2c2nnn[nH]2)c2ncccc2c1=O
Show InChI InChI=1S/C28H23N7O2/c36-25-21-5-2-12-29-27(21)35(15-24(25)28(37)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)26-31-33-34-32-26/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,37)(H,31,32,33,34)
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n/an/a 0.550n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347339
PNG
(CHEMBL1801151)
Show SMILES O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2c2nnn[nH]2)c2ncccc2c1=O
Show InChI InChI=1S/C28H23N7O2/c36-25-21-5-2-12-29-27(21)35(15-24(25)28(37)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)26-31-33-34-32-26/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,37)(H,31,32,33,34)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347339
PNG
(CHEMBL1801151)
Show SMILES O=C(NC1CC1)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2c2nnn[nH]2)c2ncccc2c1=O
Show InChI InChI=1S/C28H23N7O2/c36-25-21-5-2-12-29-27(21)35(15-24(25)28(37)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)26-31-33-34-32-26/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,37)(H,31,32,33,34)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347334
PNG
(CHEMBL1801067)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347334
PNG
(CHEMBL1801067)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347334
PNG
(CHEMBL1801067)
Show SMILES OC(=O)C1CC1c1ccc(cc1)-c1cccc(c1)-n1cc(C(=O)NC2CC2)c(=O)c2cccnc12
Show InChI InChI=1S/C28H23N3O4/c32-25-21-5-2-12-29-26(21)31(15-24(25)27(33)30-19-10-11-19)20-4-1-3-18(13-20)16-6-8-17(9-7-16)22-14-23(22)28(34)35/h1-9,12-13,15,19,22-23H,10-11,14H2,(H,30,33)(H,34,35)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50347342
PNG
(CHEMBL1801154)
Show SMILES CC1(CC1)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4D


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B


(Homo sapiens (Human))
BDBM50347342
PNG
(CHEMBL1801154)
Show SMILES CC1(CC1)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4B


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50347342
PNG
(CHEMBL1801154)
Show SMILES CC1(CC1)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)C2CC2C(O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C29H25N3O4/c1-29(11-12-29)31-27(34)24-16-32(26-21(25(24)33)6-3-13-30-26)20-5-2-4-19(14-20)17-7-9-18(10-8-17)22-15-23(22)28(35)36/h2-10,13-14,16,22-23H,11-12,15H2,1H3,(H,31,34)(H,35,36)
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Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
Inhibition of PDE4A


Bioorg Med Chem Lett 20: 6387-93 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.087
BindingDB Entry DOI: 10.7270/Q2QJ7HPG
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50274189
PNG
(1-(4'-Methanesulfonyl-biphenyl-3-yl)-4-oxo-1,4-dih...)
Show SMILES CC(C)NC(=O)c1cn(-c2cccc(c2)-c2ccc(cc2)S(C)(=O)=O)c2ncccc2c1=O
Show InChI InChI=1S/C25H23N3O4S/c1-16(2)27-25(30)22-15-28(24-21(23(22)29)8-5-13-26-24)19-7-4-6-18(14-19)17-9-11-20(12-10-17)33(3,31)32/h4-16H,1-3H3,(H,27,30)
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n/an/a 0.620n/an/an/an/an/an/a



Merck Frosst Center for Therapeutic Research

Curated by ChEMBL


Assay Description
Intrinsic inhibition of GST-fused human PDE4A expressed in SF9 cells


Bioorg Med Chem Lett 18: 5554-8 (2008)


Article DOI: 10.1016/j.bmcl.2008.09.009
BindingDB Entry DOI: 10.7270/Q24X57M1
More data for this
Ligand-Target Pair
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