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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with all data for entry = 50034389   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50273426
PNG
(CHEMBL515980 | N-(4-Phenoxybenzenesulfonyl)-N-hydr...)
Show SMILES CC(C)[C@@H](N(CC(O)=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C19H22N2O7S/c1-13(2)18(19(24)20-25)21(12-17(22)23)29(26,27)16-10-8-15(9-11-16)28-14-6-4-3-5-7-14/h3-11,13,18,25H,12H2,1-2H3,(H,20,24)(H,22,23)/t18-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins ...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Stromelysin-1


(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 16n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins ...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 21n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 23n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-16


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP16 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 52n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP12 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(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 160n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins ...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP13 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 300n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP8 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrilysin


(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 380n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 690n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-16


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 1.10E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP16 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs fo...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-16


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP16 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins ...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP14 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs f...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 3.90E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP3 using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins ...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 4.90E+3n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP1 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50361601
PNG
(CHEMBL1939846)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(Oc2ccccc2)cc1 |r|
Show InChI InChI=1S/C19H20N2O6S/c1-13(2)18-19(23)21(24)17(22)12-20(18)28(25,26)16-10-8-15(9-11-16)27-14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50361600
PNG
(CHEMBL1939845)
Show SMILES CC(C)[C@H]1N(CC(=O)N(O)C1=O)S(=O)(=O)c1ccc(cc1)-c1ccccc1 |r|
Show InChI InChI=1S/C19H20N2O5S/c1-13(2)18-19(23)21(24)17(22)12-20(18)27(25,26)16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-11,13,18,24H,12H2,1-2H3/t18-/m1/s1
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n/an/a 1.60E+4n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 3.30E+4n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of TACE using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair
Matrilysin


(Homo sapiens (Human))
BDBM50361599
PNG
(CHEMBL1939844)
Show SMILES COc1ccc(cc1)S(=O)(=O)N1CC(=O)N(O)C(=O)[C@H]1C(C)C |r|
Show InChI InChI=1S/C14H18N2O6S/c1-9(2)13-14(18)16(19)12(17)8-15(13)23(20,21)11-6-4-10(22-3)5-7-11/h4-7,9,13,19H,8H2,1-3H3/t13-/m1/s1
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n/an/a 3.90E+4n/an/an/an/an/an/a



Instituto Superior T£cnico

Curated by ChEMBL


Assay Description
Inhibition of MMP7 using Mca-Lys-Pro-Leu-Gly-Leu-Dap(Dnp)-Ala-Arg-NH2 as substrate preincubated for 4 hrs measured every 15 secs for 20 mins by fluor...


J Med Chem 54: 8289-98 (2011)


Article DOI: 10.1021/jm200593b
BindingDB Entry DOI: 10.7270/Q2MP53QN
More data for this
Ligand-Target Pair