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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50170209'   
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
Macrophage metalloelastase


(Homo sapiens (Human))
BDBM50170209
PNG
(4-Biphenyl-4-yl-thiophene-2-carboxylic acid (2-mor...)
Show SMILES O=C(NCCN1CCOCC1)c1cc(cs1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C23H24N2O2S/c26-23(24-10-11-25-12-14-27-15-13-25)22-16-21(17-28-22)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,16-17H,10-15H2,(H,24,26)
PDB
MMDB

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Article
PubMed
n/an/a 400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloprotease-12 in presence of 5 nM acetohydroximate


Bioorg Med Chem Lett 15: 3787-90 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.079
BindingDB Entry DOI: 10.7270/Q2736QFM
More data for this
Ligand-Target Pair