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PubMed code 14711305

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
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
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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2.5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-11


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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10n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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20n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
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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50n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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105n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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110n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-11


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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230n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-11


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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410n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-11


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-7


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM50138684
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C39H43N4O6P/c40-37(44)35(24-32-25-41-34-22-11-10-21-33(32)34)42-38(45)31(20-12-19-28-13-4-1-5-14-28)27-50(47,48)36(23-29-15-6-2-7-16-29)43-39(46)49-26-30-17-8-3-9-18-30/h1-11,13-18,21-22,25,31,35-36,41H,12,19-20,23-24,26-27H2,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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>2.00E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-1


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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3.91E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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4.65E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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4.70E+3n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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1.57E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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1.84E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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3.00E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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3.00E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50138683
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{3-(2-br...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1Br)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C37H38BrN4O6PS/c38-30-16-8-10-18-33(30)50-24-28(36(44)41-32(35(39)43)20-27-21-40-31-17-9-7-15-29(27)31)23-49(46,47)34(19-25-11-3-1-4-12-25)42-37(45)48-22-26-13-5-2-6-14-26/h1-18,21,28,32,34,40H,19-20,22-24H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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3.01E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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3.56E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-9


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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3.89E+4n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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1.48E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-9


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50138685
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccccc1SCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C38H41N4O7PS/c1-48-33-18-10-11-19-34(33)51-25-29(37(44)41-32(36(39)43)21-28-22-40-31-17-9-8-16-30(28)31)24-50(46,47)35(20-26-12-4-2-5-13-26)42-38(45)49-23-27-14-6-3-7-15-27/h2-19,22,29,32,35,40H,20-21,23-25H2,1H3,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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1.60E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-14


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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2.00E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-13


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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2.00E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-2


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50138686
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CSc1ccccc1OC(F)(F)F)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H38F3N4O7PS/c39-38(40,41)52-32-17-9-10-18-33(32)54-24-28(36(47)44-31(35(42)46)20-27-21-43-30-16-8-7-15-29(27)30)23-53(49,50)34(19-25-11-3-1-4-12-25)45-37(48)51-22-26-13-5-2-6-14-26/h1-18,21,28,31,34,43H,19-20,22-24H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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2.00E+5n/an/an/an/an/an/an/an/a



University of Athens

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 47: 325-36 (2004)


Article DOI: 10.1021/jm0308491
BindingDB Entry DOI: 10.7270/Q27080V1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%