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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-12 (MMP12)' and Ligand = 'BDBM50295501'   
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-12 (MMP12)


(Homo sapiens (Human))
BDBM50295501
PNG
((S)-3-Methyl-2-(7-(p-tolyloxycarbonylamino)dibenzo...)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)sc1cc(NC(=O)Oc3ccc(C)cc3)ccc21)C(O)=O
Show InChI InChI=1S/C25H24N2O6S2/c1-14(2)23(24(28)29)27-35(31,32)18-9-11-20-19-10-6-16(12-21(19)34-22(20)13-18)26-25(30)33-17-7-4-15(3)5-8-17/h4-14,23,27H,1-3H3,(H,26,30)(H,28,29)/t23-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MMP12


J Med Chem 52: 5408-19 (2009)


Article DOI: 10.1021/jm900809r
BindingDB Entry DOI: 10.7270/Q21J99SW
More data for this
Ligand-Target Pair