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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for monomerid = 50325340   
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
Collagenase 3


(Homo sapiens (Human))
BDBM50325340
PNG
((S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2...)
Show SMILES CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)C |r|
Show InChI InChI=1S/C25H25F3N4O4/c1-14(2)21(24(35)29-3)32-23(34)19-11-10-18(36-19)16-7-4-6-15(12-16)13-30-22(33)17-8-5-9-20(31-17)25(26,27)28/h4-12,14,21H,13H2,1-3H3,(H,29,35)(H,30,33)(H,32,34)/t21-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



Boehringer Ingelheim Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of MMP13


Bioorg Med Chem Lett 20: 5039-43 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.036
BindingDB Entry DOI: 10.7270/Q28S4Q3K
More data for this
Ligand-Target Pair