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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neutrophil collagenase' and Ligand = 'BDBM50389107'   
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
Neutrophil collagenase


(Homo sapiens (Human))
BDBM50389107
PNG
(CHEMBL2064541)
Show SMILES COc1ccc(cc1)S(=O)(=O)N(Cc1ccc(OCCOCCOCCOCCOCc2cn(CCF)nn2)cc1)[C@H](C(C)C)C(=O)NO |r|
Show InChI InChI=1S/C32H46FN5O10S/c1-25(2)31(32(39)35-40)38(49(41,42)30-10-8-28(43-3)9-11-30)22-26-4-6-29(7-5-26)48-21-20-46-17-16-44-14-15-45-18-19-47-24-27-23-37(13-12-33)36-34-27/h4-11,23,25,31,40H,12-22,24H2,1-3H3,(H,35,39)/t31-/m1/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 0.200n/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)


Article DOI: 10.1021/jm300199g
BindingDB Entry DOI: 10.7270/Q2GQ6ZTT
More data for this
Ligand-Target Pair