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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 = 'BDBM50294121'   
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))
BDBM50294121
PNG
(CHEMBL550081 | N-hydroxy-2-(N-isopropoxy-4'-(methy...)
Show SMILES CSc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)N(CC(=O)NO)OC(C)C
Show InChI InChI=1S/C18H22N2O5S2/c1-13(2)25-20(12-18(21)19-22)27(23,24)17-10-6-15(7-11-17)14-4-8-16(26-3)9-5-14/h4-11,13,22H,12H2,1-3H3,(H,19,21)
PDB
MMDB

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Article
PubMed
n/an/a 77n/an/an/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Inhibition of MMP9


J Med Chem 52: 4757-73 (2009)


Article DOI: 10.1021/jm900261f
BindingDB Entry DOI: 10.7270/Q2JW8DXN
More data for this
Ligand-Target Pair