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Compile Data Set for Download or QSAR

Found 18 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase 12'   
Target
(Institution)
LigandTarget
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
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068848
PNG
((2R,4R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amin...)
Show SMILES CC[C@@H](C)C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O5S/c1-4-16(2)14-20(21(24)22-25)23(15-17-8-6-5-7-9-17)29(26,27)19-12-10-18(28-3)11-13-19/h5-13,16,20,25H,4,14-15H2,1-3H3,(H,22,24)/t16-,20-/m1/s1
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n/an/a 4.80n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM13126
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m1/s1
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n/an/a 4.90n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068853
PNG
((R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyrid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-6-4-5-11-19-14)27(24,25)16-9-7-15(26-3)8-10-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068849
PNG
((R)-2-[(4-Methoxy-benzenesulfonyl)-pyridin-2-ylmet...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[C@H](CC(C)C)C(=O)NO
Show InChI InChI=1S/C19H25N3O5S/c1-14(2)12-18(19(23)21-24)22(13-15-6-4-5-11-20-15)28(25,26)17-9-7-16(27-3)8-10-17/h4-11,14,18,24H,12-13H2,1-3H3,(H,21,23)/t18-/m1/s1
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n/an/a 6.90n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
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
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 7.70n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM13119
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m1/s1
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n/an/a 9.60n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM13122
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CC(C)C)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)13-19(20(23)21-24)22(14-16-7-5-4-6-8-16)28(25,26)18-11-9-17(27-3)10-12-18/h4-12,15,19,24H,13-14H2,1-3H3,(H,21,23)/t19-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM11337
PNG
(2-[benzyl(4-methoxybenzene)sulfonamido]-N-hydroxyp...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)C(C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)
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n/an/a 13n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068850
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-2...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C1CCCC1)C(=O)NO
Show InChI InChI=1S/C21H26N2O5S/c1-28-18-11-13-19(14-12-18)29(26,27)23(15-16-7-3-2-4-8-16)20(21(24)22-25)17-9-5-6-10-17/h2-4,7-8,11-14,17,20,25H,5-6,9-10,15H2,1H3,(H,22,24)/t20-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM11343
PNG
((2S)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)18(19(22)20-23)21(13-15-7-5-4-6-8-15)27(24,25)17-11-9-16(26-3)10-12-17/h4-12,14,18,23H,13H2,1-3H3,(H,20,22)/t18-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068851
PNG
((2R,4S)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amin...)
Show SMILES CC[C@H](C)C[C@@H](N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C21H28N2O5S/c1-4-16(2)14-20(21(24)22-25)23(15-17-8-6-5-7-9-17)29(26,27)19-12-10-18(28-3)11-13-19/h5-13,16,20,25H,4,14-15H2,1-3H3,(H,22,24)/t16-,20+/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50295479
PNG
((S)-3-Methyl-2-(8-(2-oxooxazolidin-3-yl)dibenzo[b,...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)N1CCOC1=O)C(O)=O
Show InChI InChI=1S/C20H20N2O7S/c1-11(2)18(19(23)24)21-30(26,27)13-4-5-14-15-9-12(22-7-8-28-20(22)25)3-6-16(15)29-17(14)10-13/h3-6,9-11,18,21H,7-8H2,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 27n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of mouse MMP12


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM13123
PNG
((2R)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C(=O)NO)c1ccccc1
Show InChI InChI=1S/C22H22N2O5S/c1-29-19-12-14-20(15-13-19)30(27,28)24(16-17-8-4-2-5-9-17)21(22(25)23-26)18-10-6-3-7-11-18/h2-15,21,26H,16H2,1H3,(H,23,25)/t21-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM13118
PNG
((2S)-2-[benzyl(4-methoxybenzene)sulfonamido]-N-hyd...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NO
Show InChI InChI=1S/C17H20N2O5S/c1-13(17(20)18-21)19(12-14-6-4-3-5-7-14)25(22,23)16-10-8-15(24-2)9-11-16/h3-11,13,21H,12H2,1-2H3,(H,18,20)/t13-/m0/s1
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n/an/a 35n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068847
PNG
((S)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyrid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccn1)[C@@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C18H23N3O5S/c1-13(2)17(18(22)20-23)21(12-14-6-4-5-11-19-14)27(24,25)16-9-7-15(26-3)8-10-16/h4-11,13,17,23H,12H2,1-3H3,(H,20,22)/t17-/m0/s1
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n/an/a 37n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068852
PNG
(CHEMBL265476 | {(R)-5-[Benzyl-(4-methoxy-benzenesu...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](CCCCNC(=O)Oc1ccccc1)C(=O)NO
Show InChI InChI=1S/C27H31N3O7S/c1-36-22-15-17-24(18-16-22)38(34,35)30(20-21-10-4-2-5-11-21)25(26(31)29-33)14-8-9-19-28-27(32)37-23-12-6-3-7-13-23/h2-7,10-13,15-18,25,33H,8-9,14,19-20H2,1H3,(H,28,32)(H,29,31)/t25-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50360969
PNG
(CHEMBL1935291)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(cc21)-c1nccs1)C(O)=O
Show InChI InChI=1S/C20H18N2O5S2/c1-11(2)18(20(23)24)22-29(25,26)13-4-5-14-15-9-12(19-21-7-8-28-19)3-6-16(15)27-17(14)10-13/h3-11,18,22H,1-2H3,(H,23,24)/t18-/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of mouse MMP-12


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 12


(Mus musculus)
BDBM50068854
PNG
((R)-2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)[C@H](C1CCNCC1)C(=O)NO
Show InChI InChI=1S/C21H27N3O5S/c1-29-18-7-9-19(10-8-18)30(27,28)24(15-16-5-3-2-4-6-16)20(21(25)23-26)17-11-13-22-14-12-17/h2-10,17,20,22,26H,11-15H2,1H3,(H,23,25)/t20-/m1/s1
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Novartis Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibitory activity against mouse macrophage metalloelastase (MME) using [3H]elastin as a substrate


Bioorg Med Chem Lett 8: 897-902 (1999)

More data for this
Ligand-Target Pair