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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Matrix metalloproteinase-9' and Ligand = 'BDBM50128666'   
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-9


(Homo sapiens (Human))
BDBM50128666
PNG
(4-(4-Butoxy-benzenesulfonyl)-1-butyl-piperidine-4-...)
Show SMILES CCCCOc1ccc(cc1)S(=O)(=O)C1(CCN(CCCC)CC1)C(=O)NO
Show InChI InChI=1S/C20H32N2O5S/c1-3-5-13-22-14-11-20(12-15-22,19(23)21-24)28(25,26)18-9-7-17(8-10-18)27-16-6-4-2/h7-10,24H,3-6,11-16H2,1-2H3,(H,21,23)
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MMDB

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Article
PubMed
n/an/a 28n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against matrix metalloprotease-9.


J Med Chem 46: 2376-96 (2003)


Article DOI: 10.1021/jm0205550
BindingDB Entry DOI: 10.7270/Q2N0178C
More data for this
Ligand-Target Pair