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Compile Data Set for Download or QSAR

Found 47 hits with Last Name = 'faure' and Initial = 'td'   
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-9


(Homo sapiens (Human))
BDBM50108151
PNG
(CHEMBL75164 | N-{2,3-Dihydroxy-1-[4-(4-trifluorome...)
Show SMILES OC[C@@H](O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C18H18F3NO8S/c19-18(20,21)30-14-3-1-12(2-4-14)29-13-5-7-15(8-6-13)31(27,28)10-16(17(25)9-23)22(26)11-24/h1-8,11,16-17,23,25-26H,9-10H2/t16?,17-/m1/s1
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n/an/a 0.0920n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108131
PNG
(CHEMBL307413 | N-Hydroxy-N-{1-hydroxymethyl-2-[4-(...)
Show SMILES OCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C17H16F3NO7S/c18-17(19,20)28-15-3-1-13(2-4-15)27-14-5-7-16(8-6-14)29(25,26)10-12(9-22)21(24)11-23/h1-8,11-12,22,24H,9-10H2
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n/an/a 0.260n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108163
PNG
(CHEMBL309329 | N-Hydroxy-N-{1-(2-hydroxy-ethoxymet...)
Show SMILES OCCOCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C19H20F3NO8S/c20-19(21,22)31-17-3-1-15(2-4-17)30-16-5-7-18(8-6-16)32(27,28)12-14(23(26)13-25)11-29-10-9-24/h1-8,13-14,24,26H,9-12H2
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n/an/a 0.300n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385603
PNG
(CHEMBL2041308)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(OC(F)(F)F)cc2)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22F3N3O7S/c1-21(2)19(30)27(20(31)26-21)11-16(28(32)13-29)12-36(33,34)18-9-5-15(6-10-18)14-3-7-17(8-4-14)35-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,31)
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n/an/a 0.340n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108171
PNG
(CHEMBL77874 | N-Hydroxy-N-{3-hydroxy-2-hydroxymeth...)
Show SMILES OCC(CO)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C19H20F3NO8S/c20-19(21,22)31-16-3-1-14(2-4-16)30-15-5-7-17(8-6-15)32(28,29)11-18(23(27)12-26)13(9-24)10-25/h1-8,12-13,18,24-25,27H,9-11H2
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n/an/a 0.490n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128610
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-(2-met...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]\[#6]=[#6](/[#6])-[#6])[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C19H27NO5S/c1-14(2)10-12-19(18(21)20-22,13-11-15(3)4)26(23,24)17-8-6-16(25-5)7-9-17/h6-11,22H,12-13H2,1-5H3,(H,20,21)
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385604
PNG
(CHEMBL2041307)
Show SMILES CC1(C)OC[C@@H](O1)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O |r|
Show InChI InChI=1S/C21H22F3NO8S/c1-20(2)30-11-19(33-20)18(25(27)13-26)12-34(28,29)17-9-7-15(8-10-17)31-14-3-5-16(6-4-14)32-21(22,23)24/h3-10,13,18-19,27H,11-12H2,1-2H3/t18?,19-/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108143
PNG
(4-{3-(Formyl-hydroxy-amino)-4-[4-(4-trifluorometho...)
Show SMILES ON(C=O)C(CCc1ccc(cc1)C(O)=O)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C25H22F3NO8S/c26-25(27,28)37-22-9-7-20(8-10-22)36-21-11-13-23(14-12-21)38(34,35)15-19(29(33)16-30)6-3-17-1-4-18(5-2-17)24(31)32/h1-2,4-5,7-14,16,19,33H,3,6,15H2,(H,31,32)
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n/an/a 0.530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108138
PNG
(CHEMBL78052 | N-Hydroxy-N-{3-(4-methanesulfonyl-pi...)
Show SMILES CS(=O)(=O)N1CCN(CCC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)CC1
Show InChI InChI=1S/C23H28F3N3O8S2/c1-38(32,33)28-14-12-27(13-15-28)11-10-18(29(31)17-30)16-39(34,35)22-8-6-20(7-9-22)36-19-2-4-21(5-3-19)37-23(24,25)26/h2-9,17-18,31H,10-16H2,1H3
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n/an/a 0.790n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108156
PNG
(CHEMBL73866 | N-Hydroxy-N-{1-methoxymethyl-2-[4-(4...)
Show SMILES COCC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C18H18F3NO7S/c1-27-10-13(22(24)12-23)11-30(25,26)17-8-6-15(7-9-17)28-14-2-4-16(5-3-14)29-18(19,20)21/h2-9,12-13,24H,10-11H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108150
PNG
(CHEMBL75567 | N-{1-Dimethylaminomethyl-2-[4-(4-tri...)
Show SMILES CN(C)CC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O
Show InChI InChI=1S/C19H21F3N2O6S/c1-23(2)11-14(24(26)13-25)12-31(27,28)18-9-7-16(8-10-18)29-15-3-5-17(6-4-15)30-19(20,21)22/h3-10,13-14,26H,11-12H2,1-2H3
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n/an/a 0.900n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108136
PNG
(4-{3-(Formyl-hydroxy-amino)-4-[4-(4-trifluorometho...)
Show SMILES COC(=O)c1ccc(CCC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)cc1
Show InChI InChI=1S/C26H24F3NO8S/c1-36-25(32)19-5-2-18(3-6-19)4-7-20(30(33)17-31)16-39(34,35)24-14-12-22(13-15-24)37-21-8-10-23(11-9-21)38-26(27,28)29/h2-3,5-6,8-15,17,20,33H,4,7,16H2,1H3
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n/an/a 0.980n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385606
PNG
(CHEMBL2043425)
Show SMILES CCC1(CC)OC[C@@H](O1)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O |r|
Show InChI InChI=1S/C23H26F3NO8S/c1-3-22(4-2)32-13-21(35-22)20(27(29)15-28)14-36(30,31)19-11-9-17(10-12-19)33-16-5-7-18(8-6-16)34-23(24,25)26/h5-12,15,20-21,29H,3-4,13-14H2,1-2H3/t20?,21-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385607
PNG
(CHEMBL2043424)
Show SMILES C[C@@H]1OC(C)(C)O[C@H]1C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O |r|
Show InChI InChI=1S/C22H24F3NO8S/c1-14-20(34-21(2,3)32-14)19(26(28)13-27)12-35(29,30)18-10-8-16(9-11-18)31-15-4-6-17(7-5-15)33-22(23,24)25/h4-11,13-14,19-20,28H,12H2,1-3H3/t14-,19?,20+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108157
PNG
(CHEMBL75139 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C22H24ClN3O7S/c1-22(2)20(28)25(21(29)24(22)3)12-16(26(30)14-27)13-34(31,32)19-10-8-18(9-11-19)33-17-6-4-15(23)5-7-17/h4-11,14,16,30H,12-13H2,1-3H3
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108146
PNG
(CHEMBL307372 | N-Hydroxy-N-{1-(3-methyl-2,6-dioxo-...)
Show SMILES Cn1ccc(=O)n(CC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)c1=O
Show InChI InChI=1S/C22H20F3N3O8S/c1-26-11-10-20(30)27(21(26)31)12-15(28(32)14-29)13-37(33,34)19-8-6-17(7-9-19)35-16-2-4-18(5-3-16)36-22(23,24)25/h2-11,14-15,32H,12-13H2,1H3
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n/an/a 1.40n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108149
PNG
(CHEMBL75189 | N-Hydroxy-N-{3-morpholin-4-yl-1-[4-(...)
Show SMILES ON(C=O)C(CCN1CCOCC1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C22H25F3N2O7S/c23-22(24,25)34-20-3-1-18(2-4-20)33-19-5-7-21(8-6-19)35(30,31)15-17(27(29)16-28)9-10-26-11-13-32-14-12-26/h1-8,16-17,29H,9-15H2
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108140
PNG
(CHEMBL275654 | N-{2-(Formyl-hydroxy-amino)-3-[4-(4...)
Show SMILES CN(CC(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)N(O)C=O)S(C)(=O)=O
Show InChI InChI=1S/C19H21F3N2O8S2/c1-23(33(2,27)28)11-14(24(26)13-25)12-34(29,30)18-9-7-16(8-10-18)31-15-3-5-17(6-4-15)32-19(20,21)22/h3-10,13-14,26H,11-12H2,1-2H3
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n/an/a 1.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108169
PNG
(CHEMBL73652 | N-[2-[4-(4-Cyano-phenoxy)-benzenesul...)
Show SMILES CN1C(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(cc3)C#N)cc2)N(O)C=O)C(=O)C1(C)C
Show InChI InChI=1S/C23H24N4O7S/c1-23(2)21(29)26(22(30)25(23)3)13-17(27(31)15-28)14-35(32,33)20-10-8-19(9-11-20)34-18-6-4-16(12-24)5-7-18/h4-11,15,17,31H,13-14H2,1-3H3
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n/an/a 1.80n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108130
PNG
(CHEMBL309053 | N-{1-(4,4-Dimethyl-2,5-dioxo-imidaz...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22F3N3O8S/c1-21(2)19(30)27(20(31)26-21)11-14(28(32)13-29)12-37(33,34)18-9-7-16(8-10-18)35-15-3-5-17(6-4-15)36-22(23,24)25/h3-10,13-14,32H,11-12H2,1-2H3,(H,26,31)
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108153
PNG
(CHEMBL306276 | N-{1-(1,4-Dioxa-spiro[4.5]dec-8-yl)...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)C1CCC2(CC1)OCCO2
Show InChI InChI=1S/C24H26F3NO8S/c25-24(26,27)36-20-3-1-18(2-4-20)35-19-5-7-21(8-6-19)37(31,32)15-22(28(30)16-29)17-9-11-23(12-10-17)33-13-14-34-23/h1-8,16-17,22,30H,9-15H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108134
PNG
(CHEMBL306585 | N-Hydroxy-N-{4-morpholin-4-yl-4-oxo...)
Show SMILES ON(C=O)C(CCC(=O)N1CCOCC1)CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
Show InChI InChI=1S/C23H25F3N2O8S/c24-23(25,26)36-20-4-2-18(3-5-20)35-19-6-8-21(9-7-19)37(32,33)15-17(28(31)16-29)1-10-22(30)27-11-13-34-14-12-27/h2-9,16-17,31H,1,10-15H2
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385605
PNG
(CHEMBL2040991)
Show SMILES CC1(C)C[C@@H](C(CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)N(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C23H27F3N2O8S2/c1-22(2)12-20(28(14-22)37(3,31)32)21(27(30)15-29)13-38(33,34)19-10-8-17(9-11-19)35-16-4-6-18(7-5-16)36-23(24,25)26/h4-11,15,20-21,30H,12-14H2,1-3H3/t20-,21?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108155
PNG
(CHEMBL73928 | N-Hydroxy-N-{1-pyridin-2-yl-2-[4-(4-...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccn1
Show InChI InChI=1S/C21H17F3N2O6S/c22-21(23,24)32-17-6-4-15(5-7-17)31-16-8-10-18(11-9-16)33(29,30)13-20(26(28)14-27)19-3-1-2-12-25-19/h1-12,14,20,28H,13H2
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n/an/a 2.20n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108158
PNG
(CHEMBL311618 | N-[2-[4-(4-Cyano-phenoxy)-benzenesu...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(cc3)C#N)cc2)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22N4O7S/c1-22(2)20(28)25(21(29)24-22)12-16(26(30)14-27)13-34(31,32)19-9-7-18(8-10-19)33-17-5-3-15(11-23)4-6-17/h3-10,14,16,30H,12-13H2,1-2H3,(H,24,29)
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n/an/a 3.90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108170
PNG
(CHEMBL307915 | N-Hydroxy-N-{1-phenyl-2-[4-(4-trifl...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccccc1
Show InChI InChI=1S/C22H18F3NO6S/c23-22(24,25)32-19-8-6-17(7-9-19)31-18-10-12-20(13-11-18)33(29,30)14-21(26(28)15-27)16-4-2-1-3-5-16/h1-13,15,21,28H,14H2
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n/an/a 4.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108164
PNG
(CHEMBL308264 | N-[2-(4'-Cyano-biphenyl-4-sulfonyl)...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(cc2)-c2ccc(cc2)C#N)N(O)C=O)C1=O
Show InChI InChI=1S/C22H22N4O6S/c1-22(2)20(28)25(21(29)24-22)12-18(26(30)14-27)13-33(31,32)19-9-7-17(8-10-19)16-5-3-15(11-23)4-6-16/h3-10,14,18,30H,12-13H2,1-2H3,(H,24,29)
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n/an/a 4.10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128615
PNG
((S)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc2ccccc2c1)C(=O)NO
Show InChI InChI=1S/C21H21NO5S/c1-21(20(23)22-24,28(25,26)19-11-9-18(27-2)10-12-19)14-15-7-8-16-5-3-4-6-17(16)13-15/h3-13,24H,14H2,1-2H3,(H,22,23)
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n/an/a 8n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128617
PNG
(2-(4-Methoxy-benzenesulfonyl)-4-methylene-2-pyridi...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C([#6]\[#6]=[#6](\[#6])-[#6])([#6]-c1cccnc1)[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C20H24N2O5S/c1-15(2)10-11-20(19(23)22-24,13-16-5-4-12-21-14-16)28(25,26)18-8-6-17(27-3)7-9-18/h4-10,12,14,24H,11,13H2,1-3H3,(H,22,23)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128600
PNG
((S)-3-cyclohexyl-N-hydroxy-2-(4-methoxyphenylsulfo...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(CC1CCCCC1)C(=O)NO
Show InChI InChI=1S/C17H25NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h8-11,13,20H,3-7,12H2,1-2H3,(H,18,19)
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n/an/a 9n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128605
PNG
((R)-3-(4-(2-(diethylamino)ethoxy)phenyl)-2-(4-etho...)
Show SMILES CCOc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(OCCN(CC)CC)cc1)C(=O)NO
Show InChI InChI=1S/C24H34N2O6S/c1-5-26(6-2)16-17-32-21-10-8-19(9-11-21)18-24(4,23(27)25-28)33(29,30)22-14-12-20(13-15-22)31-7-3/h8-15,28H,5-7,16-18H2,1-4H3,(H,25,27)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128620
PNG
(2-(4-Methoxy-benzenesulfonyl)-2-methyl-4-methylene...)
Show SMILES [#6]-[#8]-c1ccc(cc1)S(=O)(=O)C([#6])([#6]\[#6]=[#6](\[#6])-[#6])[#6](=O)-[#7]-[#8]
Show InChI InChI=1S/C15H21NO5S/c1-11(2)9-10-15(3,14(17)16-18)22(19,20)13-7-5-12(21-4)6-8-13/h5-9,18H,10H2,1-4H3,(H,16,17)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128624
PNG
((S)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C17H19NO5S/c1-17(16(19)18-20,12-13-6-4-3-5-7-13)24(21,22)15-10-8-14(23-2)9-11-15/h3-11,20H,12H2,1-2H3,(H,18,19)
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n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128601
PNG
((R)-3-(4-(2-(diethylamino)ethoxy)phenyl)-N-hydroxy...)
Show SMILES CCN(CC)CCOc1ccc(CC(C)(C(=O)NO)S(=O)(=O)c2ccc(OC)cc2)cc1
Show InChI InChI=1S/C23H32N2O6S/c1-5-25(6-2)15-16-31-20-9-7-18(8-10-20)17-23(3,22(26)24-27)32(28,29)21-13-11-19(30-4)12-14-21/h7-14,27H,5-6,15-17H2,1-4H3,(H,24,26)
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128611
PNG
((R,E)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-meth...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(C\C=C\c1ccccc1)C(=O)NO
Show InChI InChI=1S/C19H21NO5S/c1-19(18(21)20-22,14-6-9-15-7-4-3-5-8-15)26(23,24)17-12-10-16(25-2)11-13-17/h3-13,22H,14H2,1-2H3,(H,20,21)/b9-6+
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n/an/a 16n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128594
PNG
(3-biphenyl-4-yl-N-hydroxy-2-(4-methoxy-benzenesulf...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1ccc(cc1)-c1ccccc1)C(=O)NO
Show InChI InChI=1S/C23H23NO5S/c1-23(22(25)24-26,30(27,28)21-14-12-20(29-2)13-15-21)16-17-8-10-19(11-9-17)18-6-4-3-5-7-18/h3-15,26H,16H2,1-2H3,(H,24,25)
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n/an/a 23n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128598
PNG
(2-Allyl-2-(4-methoxy-benzenesulfonyl)-pent-4-enoic...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC=C)(CC=C)C(=O)NO
Show InChI InChI=1S/C15H19NO5S/c1-4-10-15(11-5-2,14(17)16-18)22(19,20)13-8-6-12(21-3)7-9-13/h4-9,18H,1-2,10-11H2,3H3,(H,16,17)
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n/an/a 35n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108139
PNG
(CHEMBL74365 | N-Hydroxy-N-[2-[4-(4-trifluoromethox...)
Show SMILES ON(C=O)C(CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1)c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C23H17F6NO6S/c24-22(25,26)16-3-1-15(2-4-16)21(30(32)14-31)13-37(33,34)20-11-9-18(10-12-20)35-17-5-7-19(8-6-17)36-23(27,28)29/h1-12,14,21,32H,13H2
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50108159
PNG
(CHEMBL75302 | N-[2-[4-(4-Chloro-phenoxy)-benzenesu...)
Show SMILES CC1(C)NC(=O)N(CC(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)N(O)C=O)C1=O
Show InChI InChI=1S/C21H22ClN3O7S/c1-21(2)19(27)24(20(28)23-21)11-15(25(29)13-26)12-33(30,31)18-9-7-17(8-10-18)32-16-5-3-14(22)4-6-16/h3-10,13,15,29H,11-12H2,1-2H3,(H,23,28)
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n/an/a 37n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128627
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(C)(Cc1cccnc1)C(=O)NO
Show InChI InChI=1S/C16H18N2O5S/c1-16(15(19)18-20,10-12-4-3-9-17-11-12)24(21,22)14-7-5-13(23-2)6-8-14/h3-9,11,20H,10H2,1-2H3,(H,18,19)
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n/an/a 38n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128599
PNG
(2-(4-Bromo-benzenesulfonyl)-3-(4-diethylaminometho...)
Show SMILES CCN(CC)COc1ccc(CC(C)(C(=O)NO)S(=O)(=O)c2ccc(Br)cc2)cc1
Show InChI InChI=1S/C21H27BrN2O5S/c1-4-24(5-2)15-29-18-10-6-16(7-11-18)14-21(3,20(25)23-26)30(27,28)19-12-8-17(22)9-13-19/h6-13,26H,4-5,14-15H2,1-3H3,(H,23,25)
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n/an/a 58n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128609
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-4-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC(C)C)(Cc1cccnc1)C(=O)NO
Show InChI InChI=1S/C19H24N2O5S/c1-14(2)11-19(18(22)21-23,12-15-5-4-10-20-13-15)27(24,25)17-8-6-16(26-3)7-9-17/h4-10,13-14,23H,11-12H2,1-3H3,(H,21,22)
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n/an/a 63n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128623
PNG
((S)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-2-(pyrid...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC#C)(Cc1cccnc1)C(=O)NO
Show InChI InChI=1S/C18H18N2O5S/c1-3-10-18(17(21)20-22,12-14-5-4-11-19-13-14)26(23,24)16-8-6-15(25-2)7-9-16/h1,4-9,11,13,22H,10,12H2,2H3,(H,20,21)
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n/an/a 83n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128626
PNG
(CHEMBL80248 | N-Hydroxy-2-(4-methoxy-benzenesulfon...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(Cc1ccccc1)C(=O)NO
Show InChI InChI=1S/C16H17NO5S/c1-22-13-7-9-14(10-8-13)23(20,21)15(16(18)17-19)11-12-5-3-2-4-6-12/h2-10,15,19H,11H2,1H3,(H,17,18)
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n/an/a 107n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128596
PNG
((R)-N-hydroxy-2-(4-methoxyphenylsulfonyl)-5-methyl...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CCC(C)C)(Cc1cccnc1)C(=O)NO
Show InChI InChI=1S/C20H26N2O5S/c1-15(2)10-11-20(19(23)22-24,13-16-5-4-12-21-14-16)28(25,26)18-8-6-17(27-3)7-9-18/h4-9,12,14-15,24H,10-11,13H2,1-3H3,(H,22,23)
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n/an/a 120n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50128618
PNG
(2-(4-Methoxy-benzenesulfonyl)-2-prop-2-ynyl-pent-4...)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(CC#C)(CC#C)C(=O)NO
Show InChI InChI=1S/C15H15NO5S/c1-4-10-15(11-5-2,14(17)16-18)22(19,20)13-8-6-12(21-3)7-9-13/h1-2,6-9,18H,10-11H2,3H3,(H,16,17)
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n/an/a 141n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50385608
PNG
(CHEMBL2043294)
Show SMILES COc1ccc(cc1)S(=O)(=O)C(Cc1cccc2ccccc12)C(=O)NO
Show InChI InChI=1S/C20H19NO5S/c1-26-16-9-11-17(12-10-16)27(24,25)19(20(22)21-23)13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12,19,23H,13H2,1H3,(H,21,22)
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n/an/a 197n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of MMP9


ACS Med Chem Lett 2: 455-460 (2011)


Article DOI: 10.1021/ml200031m
BindingDB Entry DOI: 10.7270/Q2HQ40ZK
More data for this
Ligand-Target Pair