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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Macrophage metalloelastase' and Ligand = 'BDBM50170204'   
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))
BDBM50170204
PNG
((S)-Phenyl-{[4-(4-trifluoromethoxy-phenyl)-thiophe...)
Show SMILES OC(=O)[C@@H](NC(=O)c1cc(cs1)-c1ccc(OC(F)(F)F)cc1)c1ccccc1
Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)28-15-8-6-12(7-9-15)14-10-16(29-11-14)18(25)24-17(19(26)27)13-4-2-1-3-5-13/h1-11,17H,(H,24,25)(H,26,27)/t17-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 8.30E+3n/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