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Compile Data Set for Download or QSAR

Found 56 hits Enz. Inhib. hit(s) with all data for entry = 50033518   
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
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 1.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(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 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 1.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 2.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 2.5n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 3.40n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(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 4.80n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil 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 7.70n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
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



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50346801
PNG
(CHEMBL1795860)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1csc2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H26N2O4S3/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(32,33)29-24(27(30)28-31)17-21-18-34-25-8-5-4-7-23(21)25/h4-5,7-12,15-16,18,24,29,31H,2-3,6,17H2,1H3,(H,28,30)/t24-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 21n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(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 23n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
72 kDa type IV 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 25n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP2 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 30n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 34n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 38n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 38n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 46n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
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 56n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 63n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 76n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 79n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 84n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 93n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346803
PNG
(CHEMBL1795862)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1Cc2ccccc2C[C@@H]1C(=O)NO |r|
Show InChI InChI=1S/C26H26N2O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-23-15-16-25(33-23)34(31,32)28-18-22-8-5-4-7-21(22)17-24(28)26(29)27-30/h4-5,7-12,15-16,24,30H,2-3,6,17-18H2,1H3,(H,27,29)/t24-/m1/s1
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n/an/a 112n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 170n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346801
PNG
(CHEMBL1795860)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1csc2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H26N2O4S3/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(32,33)29-24(27(30)28-31)17-21-18-34-25-8-5-4-7-23(21)25/h4-5,7-12,15-16,18,24,29,31H,2-3,6,17H2,1H3,(H,28,30)/t24-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 280n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50346801
PNG
(CHEMBL1795860)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1csc2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H26N2O4S3/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(32,33)29-24(27(30)28-31)17-21-18-34-25-8-5-4-7-23(21)25/h4-5,7-12,15-16,18,24,29,31H,2-3,6,17H2,1H3,(H,28,30)/t24-/m1/s1
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n/an/a 320n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP3 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 340n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP25 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 440n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 500n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50346801
PNG
(CHEMBL1795860)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1csc2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H26N2O4S3/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(32,33)29-24(27(30)28-31)17-21-18-34-25-8-5-4-7-23(21)25/h4-5,7-12,15-16,18,24,29,31H,2-3,6,17H2,1H3,(H,28,30)/t24-/m1/s1
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n/an/a 650n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346797
PNG
(CHEMBL1795351)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)NCC(=O)NO
Show InChI InChI=1S/C18H20N2O4S2/c1-2-3-4-14-5-7-15(8-6-14)9-10-16-11-12-18(25-16)26(23,24)19-13-17(21)20-22/h5-8,11-12,19,22H,2-4,13H2,1H3,(H,20,21)
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n/an/a 700n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346802
PNG
(CHEMBL1795861)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N1CSC[C@H]1C(=O)NO |r|
Show InChI InChI=1S/C20H22N2O4S3/c1-2-3-4-15-5-7-16(8-6-15)9-10-17-11-12-19(28-17)29(25,26)22-14-27-13-18(22)20(23)21-24/h5-8,11-12,18,24H,2-4,13-14H2,1H3,(H,21,23)/t18-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50346801
PNG
(CHEMBL1795860)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1csc2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H26N2O4S3/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(32,33)29-24(27(30)28-31)17-21-18-34-25-8-5-4-7-23(21)25/h4-5,7-12,15-16,18,24,29,31H,2-3,6,17H2,1H3,(H,28,30)/t24-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP8 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 1.70E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50346800
PNG
(CHEMBL1795859)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)NO |r|
Show InChI InChI=1S/C27H27N3O4S2/c1-2-3-6-19-9-11-20(12-10-19)13-14-22-15-16-26(35-22)36(33,34)30-25(27(31)29-32)17-21-18-28-24-8-5-4-7-23(21)24/h4-5,7-12,15-16,18,25,28,30,32H,2-3,6,17H2,1H3,(H,29,31)/t25-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50346798
PNG
(CHEMBL1795857)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NO |r|
Show InChI InChI=1S/C32H32N2O5S2/c1-2-3-7-24-10-12-25(13-11-24)16-19-29-20-21-31(40-29)41(37,38)34-30(32(35)33-36)22-26-14-17-28(18-15-26)39-23-27-8-5-4-6-9-27/h4-6,8-15,17-18,20-21,30,34,36H,2-3,7,22-23H2,1H3,(H,33,35)/t30-/m1/s1
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n/an/a 4.80E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP1 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14


(Homo sapiens (Human))
BDBM50346799
PNG
(CHEMBL1795858)
Show SMILES CCCCc1ccc(cc1)C#Cc1ccc(s1)S(=O)(=O)N[C@H](Cc1ccc(cc1)C(=O)c1ccccc1)C(=O)NO |r|
Show InChI InChI=1S/C32H30N2O5S2/c1-2-3-7-23-10-12-24(13-11-23)16-19-28-20-21-30(40-28)41(38,39)34-29(32(36)33-37)22-25-14-17-27(18-15-25)31(35)26-8-5-4-6-9-26/h4-6,8-15,17-18,20-21,29,34,37H,2-3,7,22H2,1H3,(H,33,36)/t29-/m1/s1
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n/an/a 6.60E+3n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of human MMP14 by fluorometric assay


Eur J Med Chem 46: 2617-29 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.033
BindingDB Entry DOI: 10.7270/Q2RN3864
More data for this
Ligand-Target Pair
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