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Compile Data Set for Download or QSAR

Found 165 hits with Last Name = 'bonnet' and Initial = 'j'   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.0160n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 0.0800n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 2 in human blood (95% confidence limits)


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.100n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase


(Homo sapiens (Human))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.120n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 2 in human blood (95% confidence limits)


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.200n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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n/an/a 0.400n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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n/an/a 0.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094551
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.2.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(CC3)c12)-c1ccc(F)cc1 |(21.01,-36.41,;22.48,-35.94,;22.8,-34.43,;24.27,-33.96,;25.41,-35,;25.09,-36.5,;23.63,-36.98,;26.88,-34.53,;28.12,-35.45,;29.38,-34.55,;28.9,-33.08,;29.67,-31.77,;28.93,-30.43,;27.39,-30.42,;26.61,-31.74,;27.93,-30.96,;28.33,-32.53,;27.36,-33.07,;30.84,-35.03,;31.15,-36.54,;32.61,-37.02,;33.76,-36,;35.23,-36.48,;33.44,-34.48,;31.98,-34,)|
Show InChI InChI=1S/C22H19F2N/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20(19)22(25-21)16-7-11-18(24)12-8-16/h5-14,25H,1-4H2
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n/an/a 0.600n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase (cyclooxygenase)


(Mus musculus)
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094542
PNG
(1,3-Diphenyl-2,4,5,6-tetrahydro-cyclopenta[c]pyrro...)
Show SMILES C1Cc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-14(9-4-1)18-16-12-7-13-17(16)19(20-18)15-10-5-2-6-11-15/h1-6,8-11,20H,7,12-13H2
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n/an/a 0.700n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-1 (COX-1)


(Homo sapiens (Human))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 1n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested in vitro for inhibition against Prostaglandin G/H synthase 1 in human blood


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096651
PNG
(2-(4'-Cyano-biphenyl-4-yloxymethyl)-N-hydroxy-4-(4...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C25H21N5O4/c26-15-17-5-7-18(8-6-17)19-9-11-21(12-10-19)34-16-20(24(31)28-33)13-14-30-25(32)22-3-1-2-4-23(22)27-29-30/h1-12,20,33H,13-14,16H2,(H,28,31)
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094539
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CCC(C3)c12)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h3-10,14-15,24H,1-2,11H2
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094540
PNG
(1,3-diphenyl-4,5,6,7-tetrahydro-2H-isoindole | CHE...)
Show SMILES C1CCc2c(C1)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H19N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-6,9-12,21H,7-8,13-14H2
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50082556
PNG
((S)-2,2-Dimethyl-4-[4-(pyridin-4-yloxy)-benzenesul...)
Show SMILES CC1(C)SCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(Oc2ccncc2)cc1
Show InChI InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1
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Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094546
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.2.0*2,6*]undeca-2,...)
Show SMILES C1CC2CCC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1 |(14.74,-30.53,;13.2,-30.52,;12.42,-31.84,;13.75,-31.06,;14.15,-32.63,;15.49,-31.87,;14.71,-33.19,;15.19,-34.65,;13.94,-35.55,;12.69,-34.64,;13.18,-33.17,;11.23,-35.11,;10.08,-34.06,;8.61,-34.53,;8.28,-36.04,;9.44,-37.08,;10.9,-36.61,;16.65,-35.13,;16.96,-36.64,;18.43,-37.13,;19.58,-36.1,;19.26,-34.58,;17.8,-34.11,)|
Show InChI InChI=1S/C22H21N/c1-3-7-17(8-4-1)21-19-15-11-13-16(14-12-15)20(19)22(23-21)18-9-5-2-6-10-18/h1-10,15-16,23H,11-14H2
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n/an/a 1.60n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094563
PNG
(1,3-Di-p-tolyl-4,5,6,7-tetrahydro-2H-isoindole | 1...)
Show SMILES Cc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(C)cc1
Show InChI InChI=1S/C22H23N/c1-15-7-11-17(12-8-15)21-19-5-3-4-6-20(19)22(23-21)18-13-9-16(2)10-14-18/h7-14,23H,3-6H2,1-2H3
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n/an/a 1.67n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094534
PNG
(1,3-Bis-(4-fluoro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C20H17F2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 1.70n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094532
PNG
(1,3-Diphenyl-4,5,6,7-tetrahydro-isoindol-2-ylamine...)
Show SMILES Nn1c(c2CCCCc2c1-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C20H20N2/c21-22-19(15-9-3-1-4-10-15)17-13-7-8-14-18(17)20(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14,21H2
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 1.80n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094558
PNG
(3,5-Diphenyl-4-aza-tricyclo[5.2.1.0*2,6*]deca-2,5-...)
Show SMILES C1CC2CC1c1c([nH]c(c21)-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C21H19N/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(22-20)15-9-5-2-6-10-15/h1-10,16-17,22H,11-13H2
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n/an/a 2.60n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094548
PNG
(1,3-Bis-(4-fluoro-phenyl)-2,4,5,6-tetrahydro-cyclo...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2CCCc12)-c1ccc(F)cc1
Show InChI InChI=1S/C19H15F2N/c20-14-8-4-12(5-9-14)18-16-2-1-3-17(16)19(22-18)13-6-10-15(21)11-7-13/h4-11,22H,1-3H2
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n/an/a 2.90n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096647
PNG
(2-(Biphenyl-4-yloxymethyl)-4-(1,3-dioxo-1,3-dihydr...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)
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n/an/a 3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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n/an/a 3n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094528
PNG
(5,6-Dimethyl-1,3-diphenyl-4,5,6,7-tetrahydro-2H-is...)
Show SMILES CC1Cc2c(CC1C)c([nH]c2-c1ccccc1)-c1ccccc1
Show InChI InChI=1S/C22H23N/c1-15-13-19-20(14-16(15)2)22(18-11-7-4-8-12-18)23-21(19)17-9-5-3-6-10-17/h3-12,15-16,23H,13-14H2,1-2H3
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n/an/a 3.10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096646
PNG
(2-(4'-Chloro-biphenyl-4-yloxymethyl)-N-hydroxy-4-(...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H21ClN4O4/c25-19-9-5-16(6-10-19)17-7-11-20(12-8-17)33-15-18(23(30)27-32)13-14-29-24(31)21-3-1-2-4-22(21)26-28-29/h1-12,18,32H,13-15H2,(H,27,30)
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n/an/a 3.20n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094535
PNG
(1,3-diphenyl-4,7-dihydro-2H-isoindole | CHEMBL1408...)
Show SMILES C1C=CCc2c1c([nH]c2-c1ccccc1)-c1ccccc1 |c:1|
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-12,21H,13-14H2
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n/an/a 3.30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50063917
PNG
((2S,3R)-N(4)-[(2S)-3,3-dimethyl-1-(methylamino)-1-...)
Show SMILES CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](O)C(=O)NO)C(C)(C)C |r|
Show InChI InChI=1S/C15H29N3O5/c1-8(2)7-9(10(19)13(21)18-23)12(20)17-11(14(22)16-6)15(3,4)5/h8-11,19,23H,7H2,1-6H3,(H,16,22)(H,17,20)(H,18,21)/t9-,10+,11-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096648
PNG
(2-[2-(4'-Chloro-biphenyl-4-yl)-ethoxymethyl]-N-hyd...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COCCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN4O4/c27-22-11-9-20(10-12-22)19-7-5-18(6-8-19)14-16-35-17-21(25(32)29-34)13-15-31-26(33)23-3-1-2-4-24(23)28-30-31/h1-12,21,34H,13-17H2,(H,29,32)
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n/an/a 3.60n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096648
PNG
(2-[2-(4'-Chloro-biphenyl-4-yl)-ethoxymethyl]-N-hyd...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COCCc1ccc(cc1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H25ClN4O4/c27-22-11-9-20(10-12-22)19-7-5-18(6-8-19)14-16-35-17-21(25(32)29-34)13-15-31-26(33)23-3-1-2-4-24(23)28-30-31/h1-12,21,34H,13-17H2,(H,29,32)
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n/an/a 4.30n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094561
PNG
(3,5-Bis-(4-fluoro-phenyl)-4-aza-tricyclo[5.2.1.0*2...)
Show SMILES Fc1ccc(cc1)-c1[nH]c(c2C3CC(C=C3)c12)-c1ccc(F)cc1 |c:15|
Show InChI InChI=1S/C21H15F2N/c22-16-7-3-12(4-8-16)20-18-14-1-2-15(11-14)19(18)21(24-20)13-5-9-17(23)10-6-13/h1-10,14-15,24H,11H2
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n/an/a 4.5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50096649
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(4-oxo-4H-b...)
Show SMILES ONC(=O)C(CCn1nnc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N4O4/c29-23(26-31)19(14-15-28-24(30)21-8-4-5-9-22(21)25-27-28)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,29)
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50096647
PNG
(2-(Biphenyl-4-yloxymethyl)-4-(1,3-dioxo-1,3-dihydr...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094541
PNG
(1,3-Bis-(4-chloro-phenyl)-4,5,6,7-tetrahydro-2H-is...)
Show SMILES Clc1ccc(cc1)-c1[nH]c(c2CCCCc12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C20H17Cl2N/c21-15-9-5-13(6-10-15)19-17-3-1-2-4-18(17)20(23-19)14-7-11-16(22)12-8-14/h5-12,23H,1-4H2
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n/an/a 5n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096644
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1-oxo-1H-p...)
Show SMILES ONC(=O)C(CCn1ncc2ccccc2c1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H23N3O4/c29-24(27-31)21(14-15-28-25(30)23-9-5-4-8-20(23)16-26-28)17-32-22-12-10-19(11-13-22)18-6-2-1-3-7-18/h1-13,16,21,31H,14-15,17H2,(H,27,29)
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (Human))
BDBM50045033
PNG
(1N-[1-[1-benzyl(methyl)carbamoyl-2-phenyl-(1S)-eth...)
Show SMILES CC(O)[C@H](NC(C)=O)C(=O)N[C@H](Cc1cn(C=O)c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C35H39N5O6/c1-23(42)32(36-24(2)43)34(45)37-29(19-27-21-40(22-41)31-17-11-10-16-28(27)31)33(44)38-30(18-25-12-6-4-7-13-25)35(46)39(3)20-26-14-8-5-9-15-26/h4-17,21-23,29-30,32,42H,18-20H2,1-3H3,(H,36,43)(H,37,45)(H,38,44)/t23?,29-,30+,32+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Tested for binding affinity against human NK-1 receptor transfected on CHO cells using [125I]-Tyr] SP as radioligand


J Med Chem 36: 1654-61 (1993)


BindingDB Entry DOI: 10.7270/Q25M66BM
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50096643
PNG
(2-(Biphenyl-4-yloxymethyl)-N-hydroxy-4-(1,1,3-trio...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2S1(=O)=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C24H22N2O6S/c27-23(25-29)19(14-15-26-24(28)21-8-4-5-9-22(21)33(26,30)31)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,29H,14-16H2,(H,25,27)
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n/an/a 7n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-2


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50096647
PNG
(2-(Biphenyl-4-yloxymethyl)-4-(1,3-dioxo-1,3-dihydr...)
Show SMILES ONC(=O)C(CCN1C(=O)c2ccccc2C1=O)COc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C25H22N2O5/c28-23(26-31)19(14-15-27-24(29)21-8-4-5-9-22(21)25(27)30)16-32-20-12-10-18(11-13-20)17-6-2-1-3-7-17/h1-13,19,31H,14-16H2,(H,26,28)
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n/an/a 7n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-13


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 9.30n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Tested for inhibition against Prostaglandin G/H synthase 1 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094536
PNG
(1,3-Diphenyl-2,3-dihydro-1H-isoindole | CHEMBL1412...)
Show SMILES N1[C@@H](c2ccccc2[C@H]1c1ccccc1)c1ccccc1
Show InChI InChI=1S/C20H17N/c1-3-9-15(10-4-1)19-17-13-7-8-14-18(17)20(21-19)16-11-5-2-6-12-16/h1-14,19-21H/t19-,20-/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50096645
PNG
(3-(4'-Cyano-biphenyl-4-yloxy)-N-hydroxy-propionami...)
Show SMILES ONC(=O)CCOc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C16H14N2O3/c17-11-12-1-3-13(4-2-12)14-5-7-15(8-6-14)21-10-9-16(19)18-20/h1-8,20H,9-10H2,(H,18,19)
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n/an/a>10n/an/an/an/an/an/a



Institut de Recherches Servier

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-1


Bioorg Med Chem Lett 11: 295-9 (2001)


BindingDB Entry DOI: 10.7270/Q2JH3KD9
More data for this
Ligand-Target Pair
Cyclooxygenase-2 (COX-2)


(Mus musculus (Mouse))
BDBM50094545
PNG
(5,6-Diphenyl-2,3-dihydro-1H-pyrrolizine | CHEMBL34...)
Show SMILES C1Cc2cc(c(-c3ccccc3)n2C1)-c1ccccc1
Show InChI InChI=1S/C19H17N/c1-3-8-15(9-4-1)18-14-17-12-7-13-20(17)19(18)16-10-5-2-6-11-16/h1-6,8-11,14H,7,12-13H2
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n/an/a 10n/an/an/an/an/an/a



Institut de Recherche Servier

Curated by ChEMBL


Assay Description
Inhibition against prostaglandin G/H synthase 2 from mouse resident macrophages


J Med Chem 43: 4582-93 (2001)


BindingDB Entry DOI: 10.7270/Q23B60T1
More data for this
Ligand-Target Pair
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