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Compile Data Set for Download or QSAR

Found 102 hits Enz. Inhib. hit(s) with all data for entry = 50033306   
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
Collagenase


(Homo sapiens (human))
BDBM50343081
PNG
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)
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0.130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Collagenase


(Homo sapiens (human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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0.600n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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0.660n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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0.660n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343088
PNG
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32)
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1.20n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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1.5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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1.60n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343086
PNG
(CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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1.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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2n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (human))
BDBM50343087
PNG
(CHEMBL1771222 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cncc2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-29-17-31(22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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3.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-13


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343081
PNG
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)
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8.70n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343088
PNG
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32)
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9.90n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 (MMP14)


(Homo sapiens (Human))
BDBM50343077
PNG
(CHEMBL1771212 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-6-17(7-9-19)33-16-2-4-18(5-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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14n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-14


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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28n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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31n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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37n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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44n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343086
PNG
(CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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59n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343088
PNG
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32)
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72n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343086
PNG
(CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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74n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343081
PNG
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)
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80n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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110n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343087
PNG
(CHEMBL1771222 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cncc2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-29-17-31(22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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130n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343087
PNG
(CHEMBL1771222 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cncc2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-29-17-31(22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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140n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343081
PNG
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)
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160n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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170n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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180n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343081
PNG
(CHEMBL1771216 | N-hydroxy-1-(2-methoxyethyl)-4-(4-...)
Show SMILES COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H31F3N6O7S/c1-40-18-16-34-14-11-25(12-15-34,24(36)32-37)43(38,39)22-9-7-20(8-10-22)41-17-2-13-35-31-23(30-33-35)19-3-5-21(6-4-19)42-26(27,28)29/h3-10,37H,2,11-18H2,1H3,(H,32,36)
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230n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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240n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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250n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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260n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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370n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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400n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343085
PNG
(1-ethyl-N-hydroxy-4-(4-(3-(3-(4-(trifluoromethoxy)...)
Show SMILES CCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C26H29F3N4O7S/c1-2-33-15-13-25(14-16-33,24(34)31-35)41(36,37)21-11-9-19(10-12-21)38-17-3-4-22-30-23(32-40-22)18-5-7-20(8-6-18)39-26(27,28)29/h5-12,35H,2-4,13-17H2,1H3,(H,31,34)
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410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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410n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343088
PNG
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32)
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430n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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430n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343086
PNG
(CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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530n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(homo sapiens (human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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550n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-2


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-3


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix Metalloproteinase-8 (MMP-8)


(Homo sapiens (human))
BDBM50343052
PNG
(CHEMBL1770700 | N-hydroxy-4-(4-(3-(4-methoxybenzam...)
Show SMILES COc1ccc(cc1)C(=O)NCCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C23H28N2O8S/c1-31-18-5-3-17(4-6-18)21(26)24-13-2-14-33-19-7-9-20(10-8-19)34(29,30)23(22(27)25-28)11-15-32-16-12-23/h3-10,28H,2,11-16H2,1H3,(H,24,26)(H,25,27)
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900n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-8


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50343083
PNG
(CHEMBL1771218 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnnn1CCCOc1ccc(cc1)S(=O)(=O)C1(CCOCC1)C(=O)NO
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-26-27-28(20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)25-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,25,29)
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970n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-7


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343080
PNG
(CHEMBL1771215 | N-hydroxy-4-(4-(3-(5-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2nnc(n2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-4-2-16(3-5-18)20-27-30-31(28-20)12-1-13-37-17-6-8-19(9-7-17)39(34,35)22(21(32)29-33)10-14-36-15-11-22/h2-9,33H,1,10-15H2,(H,29,32)
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1.20E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343084
PNG
(CHEMBL1771219 | N-hydroxy-4-(4-(3-(3-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nc(no2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C24H24F3N3O8S/c25-24(26,27)37-18-5-3-16(4-6-18)21-28-20(38-30-21)2-1-13-36-17-7-9-19(10-8-17)39(33,34)23(22(31)29-32)11-14-35-15-12-23/h3-10,32H,1-2,11-15H2,(H,29,31)
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1.60E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343088
PNG
(CHEMBL1771223 | N-hydroxy-4-(4-(3-(1-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCc2nnnn2-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H24F3N5O7S/c24-23(25,26)38-18-5-3-16(4-6-18)31-20(27-29-30-31)2-1-13-37-17-7-9-19(10-8-17)39(34,35)22(21(32)28-33)11-14-36-15-12-22/h3-10,33H,1-2,11-15H2,(H,28,32)
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1.70E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343086
PNG
(CHEMBL1771221 | N-hydroxy-4-(4-(3-(4-(4-(trifluoro...)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(OCCCn2cnc(c2)-c2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H26F3N3O7S/c26-25(27,28)38-20-4-2-18(3-5-20)22-16-31(17-29-22)12-1-13-37-19-6-8-21(9-7-19)39(34,35)24(23(32)30-33)10-14-36-15-11-24/h2-9,16-17,33H,1,10-15H2,(H,30,32)
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1.80E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Collagenase


(Homo sapiens (Human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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2.40E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-9


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7)


(Homo sapiens (Human))
BDBM50343082
PNG
(CHEMBL1771217 | N-hydroxy-4-(4-(3-(5-(5-methylpyri...)
Show SMILES Cc1ccc(nc1)-c1nnn(CCCOc2ccc(cc2)S(=O)(=O)C2(CCOCC2)C(=O)NO)n1
Show InChI InChI=1S/C22H26N6O6S/c1-16-3-8-19(23-15-16)20-24-27-28(25-20)11-2-12-34-17-4-6-18(7-5-17)35(31,32)22(21(29)26-30)9-13-33-14-10-22/h3-8,15,30H,2,9-14H2,1H3,(H,26,29)
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3.00E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP-7


Bioorg Med Chem Lett 21: 2820-2 (2011)


Article DOI: 10.1016/j.bmcl.2011.03.099
BindingDB Entry DOI: 10.7270/Q2416XCK
More data for this
Ligand-Target Pair
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