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PubMed code 17936631

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224956
PNG
(CHEMBL253710 | N-hydroxy-2-methyl-3-(6-methyl-2-ox...)
Show SMILES CC(Cc1cc2cc(C)ccc2oc1=O)C(=O)NO |w:1.0|
Show InChI InChI=1S/C14H15NO4/c1-8-3-4-12-10(5-8)7-11(14(17)19-12)6-9(2)13(16)15-18/h3-5,7,9,18H,6H2,1-2H3,(H,15,16)
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n/an/a 3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224961
PNG
(2-benzyl-N-hydroxy-3-(6-methyl-2-oxo-2H-chromen-3-...)
Show SMILES Cc1ccc2oc(=O)c(CC(Cc3ccccc3)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C20H19NO4/c1-13-7-8-18-15(9-13)11-17(20(23)25-18)12-16(19(22)21-24)10-14-5-3-2-4-6-14/h2-9,11,16,24H,10,12H2,1H3,(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 6n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 23n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224959
PNG
(3-(5-(hexa-2,4-dienylidene)-2-oxo-5,6-dihydro-2H-p...)
Show SMILES C\C=C\C=C/C=C1\COC(=O)C(CCC(=O)NO)=C1 |c:17|
Show InChI InChI=1S/C14H17NO4/c1-2-3-4-5-6-11-9-12(14(17)19-10-11)7-8-13(16)15-18/h2-6,9,18H,7-8,10H2,1H3,(H,15,16)/b3-2+,5-4-,11-6-
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n/an/a 28n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224960
PNG
(2-(6-methyl-2-oxo-2H-chromen-3-ylmethyl)-pent-4-en...)
Show SMILES Cc1ccc2oc(=O)c(CC(CC=C)C(=O)NO)cc2c1 |w:10.10|
Show InChI InChI=1S/C16H17NO4/c1-3-4-11(15(18)17-20)8-13-9-12-7-10(2)5-6-14(12)21-16(13)19/h3,5-7,9,11,20H,1,4,8H2,2H3,(H,17,18)
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n/an/a 30n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224954
PNG
(CHEMBL252693 | N-hydroxy-2-((6-methoxy-2H-chromen-...)
Show SMILES COc1ccc2oc(=O)c(CC(C)C(=O)NO)cc2c1 |w:11.11|
Show InChI InChI=1S/C14H15NO5/c1-8(13(16)15-18)5-10-6-9-7-11(19-2)3-4-12(9)20-14(10)17/h3-4,6-8,18H,5H2,1-2H3,(H,15,16)
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n/an/a 36n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224958
PNG
(CHEMBL253489 | N-hydroxy-3-(6-methyl-2-oxo-2H-chro...)
Show SMILES Cc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO4/c1-8-2-4-11-10(6-8)7-9(13(16)18-11)3-5-12(15)14-17/h2,4,6-7,17H,3,5H2,1H3,(H,14,15)
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n/an/a 60n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224955
PNG
(CHEMBL402990 | N-hydroxy-3-(6-methoxy-2-oxo-2H-chr...)
Show SMILES COc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
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n/an/a 110n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224963
PNG
(CHEMBL252674 | N-hydroxy-3-(2-oxo-2H-chromen-3-yl)...)
Show SMILES ONC(=O)CCc1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H11NO4/c14-11(13-16)6-5-9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7,16H,5-6H2,(H,13,14)
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n/an/a 150n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224963
PNG
(CHEMBL252674 | N-hydroxy-3-(2-oxo-2H-chromen-3-yl)...)
Show SMILES ONC(=O)CCc1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H11NO4/c14-11(13-16)6-5-9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7,16H,5-6H2,(H,13,14)
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n/an/a 200n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224958
PNG
(CHEMBL253489 | N-hydroxy-3-(6-methyl-2-oxo-2H-chro...)
Show SMILES Cc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO4/c1-8-2-4-11-10(6-8)7-9(13(16)18-11)3-5-12(15)14-17/h2,4,6-7,17H,3,5H2,1H3,(H,14,15)
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n/an/a 230n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224962
PNG
(3-(6-chloro-2-oxo-2H-chromen-3-yl)-N-hydroxy-propa...)
Show SMILES ONC(=O)CCc1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H10ClNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 550n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224955
PNG
(CHEMBL402990 | N-hydroxy-3-(6-methoxy-2-oxo-2H-chr...)
Show SMILES COc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
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n/an/a 590n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224957
PNG
(3-(6-bromo-2-oxo-2H-chromen-3-yl)-N-hydroxy-propan...)
Show SMILES ONC(=O)CCc1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C12H10BrNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 840n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224957
PNG
(3-(6-bromo-2-oxo-2H-chromen-3-yl)-N-hydroxy-propan...)
Show SMILES ONC(=O)CCc1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C12H10BrNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 860n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224956
PNG
(CHEMBL253710 | N-hydroxy-2-methyl-3-(6-methyl-2-ox...)
Show SMILES CC(Cc1cc2cc(C)ccc2oc1=O)C(=O)NO |w:1.0|
Show InChI InChI=1S/C14H15NO4/c1-8-3-4-12-10(5-8)7-11(14(17)19-12)6-9(2)13(16)15-18/h3-5,7,9,18H,6H2,1-2H3,(H,15,16)
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n/an/a 1.04E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224963
PNG
(CHEMBL252674 | N-hydroxy-3-(2-oxo-2H-chromen-3-yl)...)
Show SMILES ONC(=O)CCc1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H11NO4/c14-11(13-16)6-5-9-7-8-3-1-2-4-10(8)17-12(9)15/h1-4,7,16H,5-6H2,(H,13,14)
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n/an/a 1.41E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50224962
PNG
(3-(6-chloro-2-oxo-2H-chromen-3-yl)-N-hydroxy-propa...)
Show SMILES ONC(=O)CCc1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H10ClNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 1.47E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP2


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224958
PNG
(CHEMBL253489 | N-hydroxy-3-(6-methyl-2-oxo-2H-chro...)
Show SMILES Cc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO4/c1-8-2-4-11-10(6-8)7-9(13(16)18-11)3-5-12(15)14-17/h2,4,6-7,17H,3,5H2,1H3,(H,14,15)
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n/an/a 3.05E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224955
PNG
(CHEMBL402990 | N-hydroxy-3-(6-methoxy-2-oxo-2H-chr...)
Show SMILES COc1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C13H13NO5/c1-18-10-3-4-11-9(7-10)6-8(13(16)19-11)2-5-12(15)14-17/h3-4,6-7,17H,2,5H2,1H3,(H,14,15)
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n/an/a 5.66E+3n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224956
PNG
(CHEMBL253710 | N-hydroxy-2-methyl-3-(6-methyl-2-ox...)
Show SMILES CC(Cc1cc2cc(C)ccc2oc1=O)C(=O)NO |w:1.0|
Show InChI InChI=1S/C14H15NO4/c1-8-3-4-12-10(5-8)7-11(14(17)19-12)6-9(2)13(16)15-18/h3-5,7,9,18H,6H2,1-2H3,(H,15,16)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50224964
PNG
(3-(6-tert-butyl-2-oxo-2H-chromen-3-yl)-N-hydroxypr...)
Show SMILES CC(C)(C)c1ccc2oc(=O)c(CCC(=O)NO)cc2c1
Show InChI InChI=1S/C16H19NO4/c1-16(2,3)12-5-6-13-11(9-12)8-10(15(19)21-13)4-7-14(18)17-20/h5-6,8-9,20H,4,7H2,1-3H3,(H,17,18)
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n/an/a 1.24E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human TACE


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224962
PNG
(3-(6-chloro-2-oxo-2H-chromen-3-yl)-N-hydroxy-propa...)
Show SMILES ONC(=O)CCc1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C12H10ClNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 1.64E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM50224957
PNG
(3-(6-bromo-2-oxo-2H-chromen-3-yl)-N-hydroxy-propan...)
Show SMILES ONC(=O)CCc1cc2cc(Br)ccc2oc1=O
Show InChI InChI=1S/C12H10BrNO4/c13-9-2-3-10-8(6-9)5-7(12(16)18-10)1-4-11(15)14-17/h2-3,5-6,17H,1,4H2,(H,14,15)
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n/an/a 2.45E+4n/an/an/an/an/an/a



Yonsei University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP9


Bioorg Med Chem 16: 530-5 (2008)


Article DOI: 10.1016/j.bmc.2007.09.014
BindingDB Entry DOI: 10.7270/Q2QF8SM7
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%