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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix Metalloproteinase-8 (MMP-8)' and Ligand = 'BDBM50389096'   
Target
(Institution)
LigandTarget
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-8 (MMP-8)


(Homo sapiens (human))
BDBM50389096
PNG
(CHEMBL2064549)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1cn(CCOCCOCCOCCF)nn1)[C@H](C(C)C)C(=O)NO
Show InChI InChI=1S/C23H36FN5O8S/c1-18(2)22(23(30)26-31)29(38(32,33)21-6-4-20(34-3)5-7-21)17-19-16-28(27-25-19)9-11-36-13-15-37-14-12-35-10-8-24/h4-7,16,18,22,31H,8-15,17H2,1-3H3,(H,26,30)/t22-/m1/s1
PDB
MMDB

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Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



University Hospital M£nster

Curated by ChEMBL


Assay Description
Inhibition of MMP8 using (7-methoxycoumarin-4-yl)acetyl-Pro-Leu-Gly-Leu-(3-(2,4-dinitrophenyl)-L-2,3-diaminopropionyl)Ala-Arg-NH2 as substrate incuba...


J Med Chem 55: 4714-27 (2012)

More data for this
Ligand-Target Pair