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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with all data for entry = 5662   
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-25


(Homo sapiens (Human))
BDBM92488
PNG
(BI-92G11)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
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Article
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n/an/a 900n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM92488
PNG
(BI-92G11)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-25


(Homo sapiens (Human))
BDBM92489
PNG
(BI-102C8)
Show SMILES CCOc1ccc(cc1)-c1ccccc1C(=O)NO
Show InChI InChI=1S/C15H15NO3/c1-2-19-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15(17)16-18/h3-10,18H,2H2,1H3,(H,16,17)
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n/an/a 2.50E+3n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-20,P8S]


(Homo sapiens (Human))
BDBM92488
PNG
(BI-92G11)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
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Article
PubMed
n/an/a 1.09E+4n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM92488
PNG
(BI-92G11)
Show SMILES ONC(=O)CCS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H11NO4S/c11-9(10-12)6-7-15(13,14)8-4-2-1-3-5-8/h1-5,12H,6-7H2,(H,10,11)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-14 [1-20,P8S]


(Homo sapiens (Human))
BDBM92489
PNG
(BI-102C8)
Show SMILES CCOc1ccc(cc1)-c1ccccc1C(=O)NO
Show InChI InChI=1S/C15H15NO3/c1-2-19-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15(17)16-18/h3-10,18H,2H2,1H3,(H,16,17)
MMDB

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n/an/a>1.00E+5n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM92489
PNG
(BI-102C8)
Show SMILES CCOc1ccc(cc1)-c1ccccc1C(=O)NO
Show InChI InChI=1S/C15H15NO3/c1-2-19-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15(17)16-18/h3-10,18H,2H2,1H3,(H,16,17)
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n/an/a>1.00E+5n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM92489
PNG
(BI-102C8)
Show SMILES CCOc1ccc(cc1)-c1ccccc1C(=O)NO
Show InChI InChI=1S/C15H15NO3/c1-2-19-12-9-7-11(8-10-12)13-5-3-4-6-14(13)15(17)16-18/h3-10,18H,2H2,1H3,(H,16,17)
PDB
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UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/a37



Sanford-Burnham Medical Research Institute



Assay Description
Inhibition of IC50 using matrix metalloproteinase.


J Biol Chem 285: 16076-86 (2010)


Article DOI: 10.1074/jbc.M110.107094
BindingDB Entry DOI: 10.7270/Q2TM78QN
More data for this
Ligand-Target Pair