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PubMed code 21609408

Compile data set for download or QSAR
Found 6 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
Stromelysin-1


(Homo sapiens (Human))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
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Article
PubMed
n/an/a 10n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50264772
PNG
(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H21NO4/c1-17-15-23(28)24(29)25(31-17)26(30)27-16-18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-2-4-6-19/h2-15,29H,16H2,1H3,(H,27,30)
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Article
PubMed
n/an/a 19n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
Stromelysin-1


(Homo sapiens (Human))
BDBM50241504
PNG
(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
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Article
PubMed
n/an/a 240n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM82186
PNG
(AM-5)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C21H16N2O4/c1-13-10-18(24)19(25)20(27-13)21(26)23-12-15-4-8-17(9-5-15)16-6-2-14(11-22)3-7-16/h2-10,25H,12H2,1H3,(H,23,26)
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Article
PubMed
n/an/a 610n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50241504
PNG
(3-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C20H17NO4/c1-13-11-17(22)18(23)19(25-13)20(24)21-12-14-7-9-16(10-8-14)15-5-3-2-4-6-15/h2-11,23H,12H2,1H3,(H,21,24)
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Article
PubMed
n/an/a 9.30E+3n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
72 kDa type IV collagenase


(Homo sapiens (Human))
BDBM50264772
PNG
(3-Hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic aci...)
Show SMILES Cc1cc(=O)c(O)c(o1)C(=O)NCc1ccc(cc1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C26H21NO4/c1-17-15-23(28)24(29)25(31-17)26(30)27-16-18-7-9-20(10-8-18)22-13-11-21(12-14-22)19-5-3-2-4-6-19/h2-15,29H,16H2,1H3,(H,27,30)
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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of California at San Diego



Assay Description
Inhibition assay using matrix metalloproteinases.


Chem Biol Drug Des 78: 191-8 (2011)


Article DOI: 10.1111/j.1747-0285.2011.01148.x
BindingDB Entry DOI: 10.7270/Q2KD1WDJ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%