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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 694.7
BDBM50078930
Wt: 604.6
BDBM50078931
Wt: 680.7
BDBM50078933
Wt: 636.6
BDBM50078937
Wt: 674.7
BDBM50078939
Wt: 696.7
BDBM50078942
Wt: 602.6
BDBM50078943
Wt: 590.6
BDBM50078944
Wt: 632.6
BDBM50078949
Wt: 620.6
BDBM50078952
Wt: 708.7
BDBM50078953
Wt: 618.6
BDBM50078954
Wt: 590.6
BDBM50078955
Wt: 694.7
BDBM50138684
Wt: 680.7
BDBM50393211
Displayed 1 to 15 (of 36 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 81 hits in this display   
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))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)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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<0.5n/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))
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-8 (MMP-8)


(Homo sapiens (human))
BDBM50393211
PNG
(CHEMBL2153737)
Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](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)/t30-,34+,35-/m1/s1
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2.5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP-8


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
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
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-8 (MMP-8)


(Homo sapiens (human))
BDBM50078953
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)
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4.30n/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)
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 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 11


(Homo sapiens)
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



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP11


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Matrix metalloproteinase 11


(Homo sapiens)
BDBM50393211
PNG
(CHEMBL2153737)
Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](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)/t30-,34+,35-/m1/s1
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5n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP-11


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)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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6n/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))
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))
BDBM50078954
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O6P/c1-23(36-33(40)43-21-25-13-6-3-7-14-25)44(41,42)22-26(16-10-15-24-11-4-2-5-12-24)32(39)37-30(31(34)38)19-27-20-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,20,23,26,30,35H,10,15-16,19,21-22H2,1H3,(H2,34,38)(H,36,40)(H,37,39)(H,41,42)
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8n/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)
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))
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



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP9


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50393211
PNG
(CHEMBL2153737)
Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](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)/t30-,34+,35-/m1/s1
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10n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP-9


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
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))
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
Collagenase


(homo sapiens (human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)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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14n/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)
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
Collagenase


(homo sapiens (human))
BDBM50393211
PNG
(CHEMBL2153737)
Show SMILES NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCc1ccccc1)CP(O)(=O)[C@H](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)/t30-,34+,35-/m1/s1
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20n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of MMP-2


J Med Chem 54: 5955-80 (2011)


Article DOI: 10.1021/jm200587f
BindingDB Entry DOI: 10.7270/Q2PV6MGF
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 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
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))
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
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



Aventis Pharma Deutschland GmbH

Curated by ChEMBL


Assay Description
Binding affinity to MMP2


J Med Chem 49: 51-69 (2006)


Article DOI: 10.1021/jm050363f
BindingDB Entry DOI: 10.7270/Q20K285S
More data for this
Ligand-Target Pair
Matrix metalloproteinase 11


(Mus musculus)
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
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22n/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))
BDBM50078954
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O6P/c1-23(36-33(40)43-21-25-13-6-3-7-14-25)44(41,42)22-26(16-10-15-24-11-4-2-5-12-24)32(39)37-30(31(34)38)19-27-20-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,20,23,26,30,35H,10,15-16,19,21-22H2,1H3,(H2,34,38)(H,36,40)(H,37,39)(H,41,42)
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23n/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))
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
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)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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26n/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))
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
Collagenase


(homo sapiens (human))
BDBM50078954
PNG
((1-Benzyloxycarbonylamino-ethyl)-{2-[1-carbamoyl-2...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CCCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C33H39N4O6P/c1-23(36-33(40)43-21-25-13-6-3-7-14-25)44(41,42)22-26(16-10-15-24-11-4-2-5-12-24)32(39)37-30(31(34)38)19-27-20-35-29-18-9-8-17-28(27)29/h2-9,11-14,17-18,20,23,26,30,35H,10,15-16,19,21-22H2,1H3,(H2,34,38)(H,36,40)(H,37,39)(H,41,42)
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31n/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)
BDBM50078953
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)
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33n/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)
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 11


(Mus musculus)
BDBM50078937
PNG
((1-Benzyloxycarbonylamino-ethyl)-{3-benzylsulfanyl...)
Show SMILES CC(NC(=O)OCc1ccccc1)P(O)(=O)CC(CSCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C32H37N4O6PS/c1-22(35-32(39)42-18-23-10-4-2-5-11-23)43(40,41)19-26(21-44-20-24-12-6-3-7-13-24)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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36n/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))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
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40n/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))
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
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
Collagenase


(Homo sapiens (Human))
BDBM50078949
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES CC(C)CC(CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O
Show InChI InChI=1S/C34H41N4O6P/c1-23(2)17-27(33(40)37-30(32(35)39)19-26-20-36-29-16-10-9-15-28(26)29)22-45(42,43)31(18-24-11-5-3-6-12-24)38-34(41)44-21-25-13-7-4-8-14-25/h3-16,20,23,27,30-31,36H,17-19,21-22H2,1-2H3,(H2,35,39)(H,37,40)(H,38,41)(H,42,43)
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65n/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))
BDBM50078953
PNG
((1-Benzyloxycarbonylamino-2-phenyl-ethyl)-{2-[1-ca...)
Show SMILES NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)C(CCCCc1ccccc1)CP(O)(=O)C(Cc1ccccc1)NC(=O)OCc1ccccc1
Show InChI InChI=1S/C40H45N4O6P/c41-38(45)36(25-33-26-42-35-23-13-12-22-34(33)35)43-39(46)32(21-11-10-16-29-14-4-1-5-15-29)28-51(48,49)37(24-30-17-6-2-7-18-30)44-40(47)50-27-31-19-8-3-9-20-31/h1-9,12-15,17-20,22-23,26,32,36-37,42H,10-11,16,21,24-25,27-28H2,(H2,41,45)(H,43,46)(H,44,47)(H,48,49)
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70n/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))
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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