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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50348683'   
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))
BDBM50348683
PNG
(CHEMBL1801048)
Show SMILES ONC(=O)C1(CCOCC1)S(=O)(=O)c1ccc(Oc2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H19NO7S/c20-13-1-3-14(4-2-13)26-15-5-7-16(8-6-15)27(23,24)18(17(21)19-22)9-11-25-12-10-18/h1-8,20,22H,9-12H2,(H,19,21)
PDB
MMDB

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Article
PubMed
n/an/a<0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MMP9 assessed as cleavage of fluorogenic peptide MCAPro-Leu-Gly-Leu-Dpa-Ala-Arg-NH2 by fluorometric assay


J Med Chem 53: 6653-80 (2010)


Article DOI: 10.1021/jm100669j
BindingDB Entry DOI: 10.7270/Q2KH0NQB
More data for this
Ligand-Target Pair