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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 = 'BDBM50111985'   
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))
BDBM50111985
PNG
(CHEMBL367331 | N-((S)-2-Benzyloxy-1-dimethylcarbam...)
Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N(C)C
Show InChI InChI=1S/C15H21N3O5/c1-10(23-9-11-7-5-4-6-8-11)12(15(21)18(2)3)16-13(19)14(20)17-22/h4-8,10,12,22H,9H2,1-3H3,(H,16,19)(H,17,20)/t10?,12-/m0/s1
PDB
MMDB

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PC sid
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4.00E+3n/an/an/an/an/an/an/an/a



University of Bielefeld

Curated by ChEMBL


Assay Description
Inhibitory activity against human gelatinase B (matrix metalloproteinase-9)


Bioorg Med Chem Lett 12: 933-6 (2002)


BindingDB Entry DOI: 10.7270/Q20V8C35
More data for this
Ligand-Target Pair