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Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase 13' AND taxid = 10116   
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 13


(Rattus norvegicus)
BDBM50098915
PNG
((R)-1-tert-Butyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(=O)C[C@@H]1C(=O)NO)C(C)(C)C
Show InChI InChI=1S/C16H23N3O6S/c1-16(2,3)18-10-19(13(9-14(18)20)15(21)17-22)26(23,24)12-7-5-11(25-4)6-8-12/h5-8,13,22H,9-10H2,1-4H3,(H,17,21)/t13-/m1/s1
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n/an/a 0.340n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098924
PNG
((R)-1-Cyclohexyl-3-(4-methoxy-benzenesulfonyl)-6-o...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C2CCCCC2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C18H25N3O6S/c1-27-14-7-9-15(10-8-14)28(25,26)21-12-20(13-5-3-2-4-6-13)17(22)11-16(21)18(23)19-24/h7-10,13,16,24H,2-6,11-12H2,1H3,(H,19,23)/t16-/m1/s1
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n/an/a 0.75n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098913
PNG
((R)-1,4-Bis-(4-methoxy-benzenesulfonyl)-[1,4]diaze...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC[C@@H](N(CC1)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO
Show InChI InChI=1S/C20H25N3O8S2/c1-30-15-3-7-17(8-4-15)32(26,27)22-12-11-19(20(24)21-25)23(14-13-22)33(28,29)18-9-5-16(31-2)6-10-18/h3-10,19,25H,11-14H2,1-2H3,(H,21,24)/t19-/m1/s1
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n/an/a 0.840n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098919
PNG
((R)-1-Isopropyl-4-(4-methoxy-benzenesulfonyl)-7-ox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(C(C)C)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H23N3O6S/c1-11(2)18-8-9-19(14(10-15(18)20)16(21)17-22)26(23,24)13-6-4-12(25-3)5-7-13/h4-7,11,14,22H,8-10H2,1-3H3,(H,17,21)/t14-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098923
PNG
((3R,9aS)-2-(4-Methoxy-benzenesulfonyl)-5-oxo-octah...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1C[C@@H]2CCCN2C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C16H21N3O6S/c1-25-12-4-6-13(7-5-12)26(23,24)19-10-11-3-2-8-18(11)15(20)9-14(19)16(21)17-22/h4-7,11,14,22H,2-3,8-10H2,1H3,(H,17,21)/t11-,14+/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098914
PNG
((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1
Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098920
PNG
((R)-4-(4-Methoxy-benzenesulfonyl)-1-(1-methyl-1H-i...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)S(=O)(=O)c1cn(C)cn1
Show InChI InChI=1S/C17H23N5O7S2/c1-20-11-16(18-12-20)31(27,28)21-8-7-15(17(23)19-24)22(10-9-21)30(25,26)14-5-3-13(29-2)4-6-14/h3-6,11-12,15,24H,7-10H2,1-2H3,(H,19,23)/t15-/m1/s1
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n/an/a 2.40n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098918
PNG
((R)-1-Benzyl-3-(4-methoxy-benzenesulfonyl)-6-oxo-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(Cc2ccccc2)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C19H21N3O6S/c1-28-15-7-9-16(10-8-15)29(26,27)22-13-21(12-14-5-3-2-4-6-14)18(23)11-17(22)19(24)20-25/h2-10,17,25H,11-13H2,1H3,(H,20,24)/t17-/m1/s1
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n/an/a 2.56n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098917
PNG
((R)-1-Isopropyl-3-(4-methoxy-benzenesulfonyl)-6-ox...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C(C)C)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C15H21N3O6S/c1-10(2)17-9-18(13(8-14(17)19)15(20)16-21)25(22,23)12-6-4-11(24-3)5-7-12/h4-7,10,13,21H,8-9H2,1-3H3,(H,16,20)/t13-/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
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 4.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
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 4.30n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat matrix metalloprotease 13


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50291979
PNG
(CHEMBL176602 | N-[[2-METHYL-4-HYDROXYCARBAMOYL]BUT...)
Show SMILES CC(C)C[C@@H](N(Cc1ccccc1)[P@](C)(=O)c1ccccc1)C(=O)NO
Show InChI InChI=1S/C20H27N2O3P/c1-16(2)14-19(20(23)21-24)22(15-17-10-6-4-7-11-17)26(3,25)18-12-8-5-9-13-18/h4-13,16,19,24H,14-15H2,1-3H3,(H,21,23)/t19-,26-/m1/s1
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n/an/a 7.40n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of rat matrix metalloprotease 13


Citation and Details
More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50098922
PNG
((R)-3-(4-Methoxy-benzenesulfonyl)-1-methyl-6-oxo-h...)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CN(C)C(=O)C[C@@H]1C(=O)NO
Show InChI InChI=1S/C13H17N3O6S/c1-15-8-16(11(7-12(15)17)13(18)14-19)23(20,21)10-5-3-9(22-2)4-6-10/h3-6,11,19H,7-8H2,1-2H3,(H,14,18)/t11-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



Procter and Gamble Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-13


Bioorg Med Chem Lett 11: 1009-13 (2001)

More data for this
Ligand-Target Pair
Matrix metalloproteinase 13


(Rattus norvegicus)
BDBM50194279
PNG
(4-(2-(4-(4-(5-(2-methoxyethyl)-2,4,6-trioxo-hexahy...)
Show SMILES COCCC1(Oc2ccc(Oc3ccc(cc3)-c3nc(co3)-c3ccc(cc3)C#N)cc2)C(=O)NC(=O)NC1=O
Show InChI InChI=1S/C29H22N4O7/c1-37-15-14-29(26(34)32-28(36)33-27(29)35)40-23-12-10-22(11-13-23)39-21-8-6-20(7-9-21)25-31-24(17-38-25)19-4-2-18(16-30)3-5-19/h2-13,17H,14-15H2,1H3,(H2,32,33,34,35,36)
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n/an/a 7.20E+3n/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
Inhibition of MMP13 in rat plasma


Citation and Details
More data for this
Ligand-Target Pair