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Compile Data Set for Download or QSAR

Found 293 hits with Last Name = 'donahue' and Initial = 'km'   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.240n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-12


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.260n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50451954
PNG
(CHEMBL2111753)
Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 |r|
Show InChI InChI=1S/C18H19ClN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/m1/s1
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148214
PNG
((R)-3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H17ClN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m1/s1
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n/an/a 0.370n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16384
PNG
(4-(4-fluorophenyl)-5-[3-(2-methoxyphenyl)-[1,2,4]t...)
Show SMILES COc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C22H15FN4O2/c1-28-18-5-3-2-4-17(18)22-26-25-19-11-8-15(12-27(19)22)21-20(24-13-29-21)14-6-9-16(23)10-7-14/h2-13H,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16385
PNG
(5-[3-(2-ethoxyphenyl)-[1,2,4]triazolo[3,4-a]pyridi...)
Show SMILES CCOc1ccccc1-c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C23H17FN4O2/c1-2-29-19-6-4-3-5-18(19)23-27-26-20-12-9-16(13-28(20)23)22-21(25-14-30-22)15-7-10-17(24)11-8-15/h3-14H,2H2,1H3
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148228
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O5S/c18-12-2-4-13(5-3-12)25-14-6-8-15(9-7-14)26(23,24)20-17(10-1-11-17)16(21)19-22/h2-9,20,22H,1,10-11H2,(H,19,21)
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n/an/a 0.530n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148198
PNG
(4-[4-(3-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2cccc(F)c2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-2-1-3-15(12-13)27-14-4-6-16(7-5-14)28(24,25)21-18(17(22)20-23)8-10-26-11-9-18/h1-7,12,21,23H,8-11H2,(H,20,22)
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n/an/a 0.560n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148232
PNG
(4-[4-(2-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2F)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-15-3-1-2-4-16(15)27-13-5-7-14(8-6-13)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148204
PNG
(3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C20H21ClN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16390
PNG
(4-(2,4-difluorophenyl)-5-[3-(1-methylcyclopropyl)-...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-4-3-12(20)8-14(13)21/h2-5,8-10H,6-7H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 0.75n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148223
PNG
((R)-3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m1/s1
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n/an/a 0.770n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148212
PNG
(4-[4-(4-Methoxy-phenoxy)-benzenesulfonylamino]-tet...)
Show SMILES COc1ccc(Oc2ccc(cc2)S(=O)(=O)NC2(CCOCC2)C(=O)NO)cc1
Show InChI InChI=1S/C19H22N2O7S/c1-26-14-2-4-15(5-3-14)28-16-6-8-17(9-7-16)29(24,25)21-19(18(22)20-23)10-12-27-13-11-19/h2-9,21,23H,10-13H2,1H3,(H,20,22)
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n/an/a 0.870n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148231
PNG
(2-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-N-hy...)
Show SMILES CC(C)(NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1)C(=O)NO
Show InChI InChI=1S/C16H17FN2O5S/c1-16(2,15(20)18-21)19-25(22,23)14-9-7-13(8-10-14)24-12-5-3-11(17)4-6-12/h3-10,19,21H,1-2H3,(H,18,20)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM15413
PNG
(4-(4-fluorophenyl)-5-[1-(propan-2-yl)-1H-1,2,3-ben...)
Show SMILES CC(C)n1nnc2ccc(cc12)-c1ocnc1-c1ccc(F)cc1
Show InChI InChI=1S/C18H15FN4O/c1-11(2)23-16-9-13(5-8-15(16)21-22-23)18-17(20-10-24-18)12-3-6-14(19)7-4-12/h3-11H,1-2H3
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n/an/a 0.900n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


J Med Chem 48: 5728-37 (2005)


Article DOI: 10.1021/jm050346q
BindingDB Entry DOI: 10.7270/Q2CR5RMP
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148201
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O5S/c19-13-3-5-14(6-4-13)26-15-7-9-16(10-8-15)27(24,25)21-18(17(22)20-23)11-1-2-12-18/h3-10,21,23H,1-2,11-12H2,(H,20,22)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148222
PNG
((S)-3-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C17H17ClN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m0/s1
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148197
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C16H15FN2O5S/c17-11-1-3-12(4-2-11)24-13-5-7-14(8-6-13)25(22,23)19-16(9-10-16)15(20)18-21/h1-8,19,21H,9-10H2,(H,18,20)
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n/an/a 0.930n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148226
PNG
(1-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-cycl...)
Show SMILES ONC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H21FN2O5S/c20-14-4-6-15(7-5-14)27-16-8-10-17(11-9-16)28(25,26)22-19(18(23)21-24)12-2-1-3-13-19/h4-11,22,24H,1-3,12-13H2,(H,21,23)
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n/an/a 0.970n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16392
PNG
(4-(2,4-difluorophenyl)-5-[3-(1-methylcyclobutyl)-[...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C20H16F2N4O/c1-20(7-2-8-20)19-25-24-16-6-3-12(10-26(16)19)18-17(23-11-27-18)14-5-4-13(21)9-15(14)22/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16393
PNG
(5-{3-tert-butyl-[1,2,4]triazolo[3,4-a]pyridin-6-yl...)
Show SMILES CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1F
Show InChI InChI=1S/C19H16F2N4O/c1-19(2,3)18-24-23-15-7-4-11(9-25(15)18)17-16(22-10-26-17)13-6-5-12(20)8-14(13)21/h4-10H,1-3H3
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n/an/a 1.10n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148224
PNG
(4-[4-(4-Chloro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C18H19ClN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50451953
PNG
(CHEMBL2111754)
Show SMILES ONC(=O)[C@]1(CCCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1 |r|
Show InChI InChI=1S/C18H19FN2O6S/c19-13-2-4-14(5-3-13)27-15-6-8-16(9-7-15)28(24,25)21-18(17(22)20-23)10-1-11-26-12-18/h2-9,21,23H,1,10-12H2,(H,20,22)/t18-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148227
PNG
((S)-3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-...)
Show SMILES ONC(=O)[C@@]1(CCOC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C17H17FN2O6S/c18-12-1-3-13(4-2-12)26-14-5-7-15(8-6-14)27(23,24)20-17(16(21)19-22)9-10-25-11-17/h1-8,20,22H,9-11H2,(H,19,21)/t17-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-9


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148211
PNG
(4-[4-(4-Chloro-pyridin-2-yloxy)-benzenesulfonylami...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2cc(Cl)ccn2)cc1
Show InChI InChI=1S/C17H18ClN3O6S/c18-12-5-8-19-15(11-12)27-13-1-3-14(4-2-13)28(24,25)21-17(16(22)20-23)6-9-26-10-7-17/h1-5,8,11,21,23H,6-7,9-10H2,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148210
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCSCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O5S2/c19-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-27-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148217
PNG
(4-(4-Phenoxy-benzenesulfonylamino)-tetrahydro-pyra...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C18H20N2O6S/c21-17(19-22)18(10-12-25-13-11-18)20-27(23,24)16-8-6-15(7-9-16)26-14-4-2-1-3-5-14/h1-9,20,22H,10-13H2,(H,19,21)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16398
PNG
(4-(2,5-difluorophenyl)-5-[3-(1-methylcyclobutyl)-[...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
Show InChI InChI=1S/C20H16F2N4O/c1-20(7-2-8-20)19-25-24-16-6-3-12(10-26(16)19)18-17(23-11-27-18)14-9-13(21)4-5-15(14)22/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50148216
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-tetr...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-2


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM8466
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)sulfonamido]-3...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C12H18N2O5S/c1-8(2)11(12(15)13-16)14-20(17,18)10-6-4-9(19-3)5-7-10/h4-8,11,14,16H,1-3H3,(H,13,15)/t11-/m1/s1
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148220
PNG
(4-[4-(4-Cyano-phenoxy)-benzenesulfonylamino]-tetra...)
Show SMILES ONC(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Oc2ccc(cc2)C#N)cc1
Show InChI InChI=1S/C19H19N3O6S/c20-13-14-1-3-15(4-2-14)28-16-5-7-17(8-6-16)29(25,26)22-19(18(23)21-24)9-11-27-12-10-19/h1-8,22,24H,9-12H2,(H,21,23)
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n/an/a 1.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16404
PNG
(5-{3-tert-butyl-[1,2,4]triazolo[3,4-a]pyridin-6-yl...)
Show SMILES CC(C)(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H15F3N4O/c1-19(2,3)18-25-24-15-5-4-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h4-9H,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50104969
PNG
((R)-N*4*-Hydroxy-2-isobutyl-N*1*-[(S)-2-(4-methoxy...)
Show SMILES CNC(=O)[C@H](Cc1ccc(OC)cc1)NC(=O)[C@H](CC(C)C)CC(=O)NO
Show InChI InChI=1S/C19H29N3O5/c1-12(2)9-14(11-17(23)22-26)18(24)21-16(19(25)20-3)10-13-5-7-15(27-4)8-6-13/h5-8,12,14,16,26H,9-11H2,1-4H3,(H,20,25)(H,21,24)(H,22,23)/t14-,16+/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Matrix Metallo Proteinase-1(MMP-1)


Bioorg Med Chem Lett 6: 1719-1724 (1996)


Article DOI: 10.1016/0960-894X(96)00303-4
BindingDB Entry DOI: 10.7270/Q23X86K0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase 3


(Homo sapiens (Human))
BDBM50148213
PNG
(4-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-1,1-...)
Show SMILES ONC(=O)C1(CCS(=O)(=O)CC1)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H19FN2O7S2/c19-13-1-3-14(4-2-13)28-15-5-7-16(8-6-15)30(26,27)21-18(17(22)20-23)9-11-29(24,25)12-10-18/h1-8,21,23H,9-12H2,(H,20,22)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16346
PNG
(4-(4-chloro-2-fluorophenyl)-5-[3-(propan-2-yl)-[1,...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-5-4-12(19)7-14(13)20/h3-10H,1-2H3
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n/an/a 2.20n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16401
PNG
(5-[3-(1-methylcyclopropyl)-[1,2,4]triazolo[3,4-a]p...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C19H13F3N4O/c1-19(4-5-19)18-25-24-15-3-2-10(8-26(15)18)17-16(23-9-27-17)11-6-13(21)14(22)7-12(11)20/h2-3,6-9H,4-5H2,1H3
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16348
PNG
(4-(2-chloro-4-fluorophenyl)-5-[3-(propan-2-yl)-[1,...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccc(F)cc1Cl
Show InChI InChI=1S/C18H14ClFN4O/c1-10(2)18-23-22-15-6-3-11(8-24(15)18)17-16(21-9-25-17)13-5-4-12(20)7-14(13)19/h3-10H,1-2H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16403
PNG
(5-[3-(1-methylcyclobutyl)-[1,2,4]triazolo[3,4-a]py...)
Show SMILES CC1(CCC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C20H15F3N4O/c1-20(5-2-6-20)19-26-25-16-4-3-11(9-27(16)19)18-17(24-10-28-18)12-7-14(22)15(23)8-13(12)21/h3-4,7-10H,2,5-6H2,1H3
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM8465
PNG
((2R)-N-hydroxy-2-[(4-methoxybenzene)(pyridin-3-ylm...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cccnc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-5-4-10-19-11-14)27(24,25)16-8-6-15(26-3)7-9-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against human matrix metalloprotease-1 (MMP-1)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16405
PNG
(3-(2,5-difluorophenyl)-4-[3-(propan-2-yl)-[1,2,4]t...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1c[nH]nc1-c1cc(F)ccc1F
Show InChI InChI=1S/C18H15F2N5/c1-10(2)18-24-22-16-6-3-11(9-25(16)18)14-8-21-23-17(14)13-7-12(19)4-5-15(13)20/h3-10H,1-2H3,(H,21,23)
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n/an/a 2.80n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50099465
PNG
((R)-1-[4-(4-Fluoro-phenoxy)-benzyl]-2-oxo-imidazol...)
Show SMILES ONC(=O)[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1
Show InChI InChI=1S/C17H16FN3O4/c18-12-3-7-14(8-4-12)25-13-5-1-11(2-6-13)9-21-10-15(16(22)20-24)19-17(21)23/h1-8,15,24H,9-10H2,(H,19,23)(H,20,22)/t15-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 1211-3 (2001)


BindingDB Entry DOI: 10.7270/Q2BC3XTK
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16340
PNG
(4-(2-chlorophenyl)-5-[3-(propan-2-yl)-[1,2,4]triaz...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1ccccc1Cl
Show InChI InChI=1S/C18H15ClN4O/c1-11(2)18-22-21-15-8-7-12(9-23(15)18)17-16(20-10-24-17)13-5-3-4-6-14(13)19/h3-11H,1-2H3
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n/an/a 3n/an/an/an/a7.230



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16396
PNG
(4-(2,5-difluorophenyl)-5-[3-(1-methylcyclopropyl)-...)
Show SMILES CC1(CC1)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)ccc1F
Show InChI InChI=1S/C19H14F2N4O/c1-19(6-7-19)18-24-23-15-5-2-11(9-25(15)18)17-16(22-10-26-17)13-8-12(20)3-4-14(13)21/h2-5,8-10H,6-7H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase 14


(Homo sapiens (Human))
BDBM16351
PNG
(5-[3-(propan-2-yl)-[1,2,4]triazolo[3,4-a]pyridin-6...)
Show SMILES CC(C)c1nnc2ccc(cn12)-c1ocnc1-c1cc(F)c(F)cc1F
Show InChI InChI=1S/C18H13F3N4O/c1-9(2)18-24-23-15-4-3-10(7-25(15)18)17-16(22-8-26-17)11-5-13(20)14(21)6-12(11)19/h3-9H,1-2H3
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer



Assay Description
The IC50s were determined by incubating each test compound with activated p38-alpha in a 96-well plate that had been pre-treated with ATF-2-GST to al...


Bioorg Med Chem Lett 16: 4339-44 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.056
BindingDB Entry DOI: 10.7270/Q2251GFZ
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50148208
PNG
(3-[4-(4-Fluoro-phenoxy)-benzenesulfonylamino]-8-ox...)
Show SMILES ONC(=O)C1(CC2CCC(C1)O2)NS(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H21FN2O6S/c21-13-1-3-14(4-2-13)28-15-7-9-18(10-8-15)30(26,27)23-20(19(24)22-25)11-16-5-6-17(12-20)29-16/h1-4,7-10,16-17,23,25H,5-6,11-12H2,(H,22,24)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against matrix metalloprotease-13 (MMP-13)


Bioorg Med Chem Lett 14: 3389-95 (2004)


Article DOI: 10.1016/j.bmcl.2004.04.083
BindingDB Entry DOI: 10.7270/Q25Q4WPN
More data for this
Ligand-Target Pair
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