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29 similar compounds to monomer 50078949

Compile data set for download or QSAR
Wt: 690.7
BDBM50061475
Wt: 694.7
BDBM50078930
Wt: 604.6
BDBM50078931
Wt: 680.7
BDBM50078933
Wt: 674.7
BDBM50078939
Wt: 716.7
BDBM50078940
Wt: 822.9
BDBM50078941
Wt: 696.7
BDBM50078942
Wt: 602.6
BDBM50078943
Wt: 590.6
BDBM50078944
Wt: 780.8
BDBM50078946
Wt: 742.8
BDBM50078947
Wt: 730.7
BDBM50078948
Wt: 708.7
BDBM50078951
Wt: 620.6
BDBM50078952
Displayed 1 to 15 (of 29 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 73 hits for monomerid = 50061475,50078930,50078931,50078933,50078939,50078940,50078941,50078942,50078943,50078944,50078946,50078947,50078948,50078951,50078952   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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0.700n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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2n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](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)/t31?,35-,36?/m1/s1
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2.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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3n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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3.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](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)/t31?,35-,36?/m1/s1
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5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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5.5n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078939
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CCCCCCCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H47N4O6P/c1-2-3-4-5-12-19-29(36(43)40-33(35(38)42)23-30-24-39-32-21-14-13-20-31(30)32)26-48(45,46)34(22-27-15-8-6-9-16-27)41-37(44)47-25-28-17-10-7-11-18-28/h6-11,13-18,20-21,24,29,33-34,39H,2-5,12,19,22-23,25-26H2,1H3,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)
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6n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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7n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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8n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078933
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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8.80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](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)/t31?,35-,36?/m1/s1
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10n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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11n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078948
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)
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12n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078942
PNG
(CHEMBL86390 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-in...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O7P/c39-36(43)34(21-30-22-40-33-19-11-10-18-32(30)33)41-37(44)31(25-48-23-28-14-6-2-7-15-28)26-50(46,47)35(20-27-12-4-1-5-13-27)42-38(45)49-24-29-16-8-3-9-17-29/h1-19,22,31,34-35,40H,20-21,23-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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16n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078952
PNG
(CHEMBL329651 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-i...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(COCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O7P/c1-22(35-32(39)43-19-24-12-6-3-7-13-24)44(40,41)21-26(20-42-18-23-10-4-2-5-11-23)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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19n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078930
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[(R)-...)
Show SMILES NC(=O)[C@@H](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)/t31?,35-,36?/m1/s1
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20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078931
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6P/c1-22(35-32(39)42-20-24-12-6-3-7-13-24)43(40,41)21-25(17-16-23-10-4-2-5-11-23)31(38)36-29(30(33)37)18-26-19-34-28-15-9-8-14-27(26)28/h2-15,19,22,25,29,34H,16-18,20-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078942
PNG
(CHEMBL86390 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-in...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O7P/c39-36(43)34(21-30-22-40-33-19-11-10-18-32(30)33)41-37(44)31(25-48-23-28-14-6-2-7-15-28)26-50(46,47)35(20-27-12-4-1-5-13-27)42-38(45)49-24-29-16-8-3-9-17-29/h1-19,22,31,34-35,40H,20-21,23-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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20n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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22n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078947
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-[2-[1-ca...)
Show SMILES COc1ccc(CSCC(CP(O)(=O)C(Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)NC(Cc2c[nH]c3ccccc23)C(N)=O)cc1
Show InChI InChI=1S/C39H43N4O7PS/c1-49-32-18-16-29(17-19-32)25-52-26-31(38(45)42-35(37(40)44)21-30-22-41-34-15-9-8-14-33(30)34)24-51(47,48)36(20-27-10-4-2-5-11-27)43-39(46)50-23-28-12-6-3-7-13-28/h2-19,22,31,35-36,41H,20-21,23-26H2,1H3,(H2,40,44)(H,42,45)(H,43,46)(H,47,48)
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22n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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26n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078948
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)
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30n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078939
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CCCCCCCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H47N4O6P/c1-2-3-4-5-12-19-29(36(43)40-33(35(38)42)23-30-24-39-32-21-14-13-20-31(30)32)26-48(45,46)34(22-27-15-8-6-9-16-27)41-37(44)47-25-28-17-10-7-11-18-28/h6-11,13-18,20-21,24,29,33-34,39H,2-5,12,19,22-23,25-26H2,1H3,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)
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30n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078948
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)
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34n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078939
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CCCCCCCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H47N4O6P/c1-2-3-4-5-12-19-29(36(43)40-33(35(38)42)23-30-24-39-32-21-14-13-20-31(30)32)26-48(45,46)34(22-27-15-8-6-9-16-27)41-37(44)47-25-28-17-10-7-11-18-28/h6-11,13-18,20-21,24,29,33-34,39H,2-5,12,19,22-23,25-26H2,1H3,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)
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34n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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35n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078951
PNG
(CHEMBL87159 | [1-(2-Benzyloxy-acetylamino)-2-pheny...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)COCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-39(46)36(24-33-25-42-35-22-11-10-21-34(33)35)43-40(47)32(20-12-19-29-13-4-1-5-14-29)28-51(48,49)38(23-30-15-6-2-7-16-30)44-37(45)27-50-26-31-17-8-3-9-18-31/h1-11,13-18,21-22,25,32,36,38,42H,12,19-20,23-24,26-28H2,(H2,41,46)(H,43,47)(H,44,45)(H,48,49)
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40n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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40n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078946
PNG
(CHEMBL313360 | [1-(2-Benzyloxycarbonylamino-propio...)
Show SMILES CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C42H49N6O7P/c1-29(46-42(52)55-27-32-18-9-4-10-19-32)40(50)47-38(24-31-16-7-3-8-17-31)56(53,54)28-33(21-13-20-30-14-5-2-6-15-30)41(51)48(44)37(39(43)49)25-34-26-45-36-23-12-11-22-35(34)36/h2-12,14-19,22-23,26,29,33,37-38,45H,13,20-21,24-25,27-28,44H2,1H3,(H2,43,49)(H,46,52)(H,47,50)(H,53,54)
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41n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078952
PNG
(CHEMBL329651 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-i...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(COCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O7P/c1-22(35-32(39)43-19-24-12-6-3-7-13-24)44(40,41)21-26(20-42-18-23-10-4-2-5-11-23)31(38)36-29(30(33)37)16-25-17-34-28-15-9-8-14-27(25)28/h2-15,17,22,26,29,34H,16,18-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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44n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (Human))
BDBM50078933
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O6P/c39-36(43)34(23-31-24-40-33-19-11-10-18-32(31)33)41-37(44)30(21-20-27-12-4-1-5-13-27)26-49(46,47)35(22-28-14-6-2-7-15-28)42-38(45)48-25-29-16-8-3-9-17-29/h1-19,24,30,34-35,40H,20-23,25-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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45n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloprotease-8


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078931
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6P/c1-22(35-32(39)42-20-24-12-6-3-7-13-24)43(40,41)21-25(17-16-23-10-4-2-5-11-23)31(38)36-29(30(33)37)18-26-19-34-28-15-9-8-14-27(26)28/h2-15,19,22,25,29,34H,16-18,20-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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51n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078941
PNG
(CHEMBL88188 | [1-(2-Benzyloxycarbonylamino-4-methy...)
Show SMILES CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)N(N)C(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C45H55N6O7P/c1-31(2)25-39(49-45(55)58-29-34-19-10-5-11-20-34)43(53)50-41(26-33-17-8-4-9-18-33)59(56,57)30-35(22-14-21-32-15-6-3-7-16-32)44(54)51(47)40(42(46)52)27-36-28-48-38-24-13-12-23-37(36)38/h3-13,15-20,23-24,28,31,35,39-41,48H,14,21-22,25-27,29-30,47H2,1-2H3,(H2,46,52)(H,49,55)(H,50,53)(H,56,57)
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53n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078948
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C42H43N4O6P/c43-40(47)38(25-35-26-44-37-18-10-9-17-36(35)37)45-41(48)34(22-20-30-19-21-32-15-7-8-16-33(32)23-30)28-53(50,51)39(24-29-11-3-1-4-12-29)46-42(49)52-27-31-13-5-2-6-14-31/h1-19,21,23,26,34,38-39,44H,20,22,24-25,27-28H2,(H2,43,47)(H,45,48)(H,46,49)(H,50,51)
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55n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078942
PNG
(CHEMBL86390 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-in...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O7P/c39-36(43)34(21-30-22-40-33-19-11-10-18-32(30)33)41-37(44)31(25-48-23-28-14-6-2-7-15-28)26-50(46,47)35(20-27-12-4-1-5-13-27)42-38(45)49-24-29-16-8-3-9-17-29/h1-19,22,31,34-35,40H,20-21,23-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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55n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078931
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6P/c1-22(35-32(39)42-20-24-12-6-3-7-13-24)43(40,41)21-25(17-16-23-10-4-2-5-11-23)31(38)36-29(30(33)37)18-26-19-34-28-15-9-8-14-27(26)28/h2-15,19,22,25,29,34H,16-18,20-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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60n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-9 (gelatinase-B).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078940
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(Cc1ccc2ccccc2c1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C41H41N4O6P/c42-39(46)37(24-33-25-43-36-18-10-9-17-35(33)36)44-40(47)34(22-30-19-20-31-15-7-8-16-32(31)21-30)27-52(49,50)38(23-28-11-3-1-4-12-28)45-41(48)51-26-29-13-5-2-6-14-29/h1-21,25,34,37-38,43H,22-24,26-27H2,(H2,42,46)(H,44,47)(H,45,48)(H,49,50)
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74n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-11.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078939
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CCCCCCCC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C37H47N4O6P/c1-2-3-4-5-12-19-29(36(43)40-33(35(38)42)23-30-24-39-32-21-14-13-20-31(30)32)26-48(45,46)34(22-27-15-8-6-9-16-27)41-37(44)47-25-28-17-10-7-11-18-28/h6-11,13-18,20-21,24,29,33-34,39H,2-5,12,19,22-23,25-26H2,1H3,(H2,38,42)(H,40,43)(H,41,44)(H,45,46)
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75n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078931
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6P/c1-22(35-32(39)42-20-24-12-6-3-7-13-24)43(40,41)21-25(17-16-23-10-4-2-5-11-23)31(38)36-29(30(33)37)18-26-19-34-28-15-9-8-14-27(26)28/h2-15,19,22,25,29,34H,16-18,20-21H2,1H3,(H2,33,37)(H,35,39)(H,36,38)(H,40,41)
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80n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078942
PNG
(CHEMBL86390 | {3-Benzyloxy-2-[1-carbamoyl-2-(1H-in...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(COCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C38H41N4O7P/c39-36(43)34(21-30-22-40-33-19-11-10-18-32(30)33)41-37(44)31(25-48-23-28-14-6-2-7-15-28)26-50(46,47)35(20-27-12-4-1-5-13-27)42-38(45)49-24-29-16-8-3-9-17-29/h1-19,22,31,34-35,40H,20-21,23-26H2,(H2,39,43)(H,41,44)(H,42,45)(H,46,47)
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85n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-2 (gelatinase-A).


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078943
PNG
((1-Acetylamino-2-phenyl-ethyl)-{2-[1-carbamoyl-2-(...)
Show SMILES CC(=O)NC(Cc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O5P/c1-23(38)36-31(19-25-13-6-3-7-14-25)43(41,42)22-26(16-10-15-24-11-4-2-5-12-24)33(40)37-30(32(34)39)20-27-21-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,21,26,30-31,35H,10,15-16,19-20,22H2,1H3,(H2,34,39)(H,36,38)(H,37,40)(H,41,42)
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90n/an/an/an/an/an/an/an/a



CEA

Curated by ChEMBL


Assay Description
Binding affinity against matrix metalloprotease-14 MTI-MMP.


J Med Chem 42: 2610-20 (1999)


Article DOI: 10.1021/jm9900164
BindingDB Entry DOI: 10.7270/Q22B8X71
More data for this
Ligand-Target Pair
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