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SMILES: ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=PIZFUXJESIVHOO-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 11547   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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433n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Matrix metalloproteinase-9


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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702n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Collagenase 3


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
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1.06E+3n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair
Interstitial collagenase


(Homo sapiens (Human))
BDBM11547
PNG
(2-[2-(1,1-biphenyl-4-yl)ethyl]-N-hydroxyisothiazol...)
Show SMILES ONC(=O)C1CCS(=O)(=O)N1CCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20N2O4S/c21-18(19-22)17-11-13-25(23,24)20(17)12-10-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,17,22H,10-13H2,(H,19,21)
PDB
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>4.95E+3>-7.23n/an/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The enzymatic activities of MMPs were determined with recombinant human version catalytic domains and a fluorogenic peptide substrate. Fluorescence m...


J Med Chem 47: 2981-3 (2004)


Article DOI: 10.1021/jm049833g
BindingDB Entry DOI: 10.7270/Q29W0CQB
More data for this
Ligand-Target Pair