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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 = 'BDBM50111988'   
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))
BDBM50111988
PNG
(CHEMBL368180 | N-[(S)-2-Benzyloxy-1-((S)-1-phenyl-...)
Show SMILES CC(OCc1ccccc1)[C@H](NC(=O)C(=O)NO)C(=O)N[C@@H](C)c1ccccc1
Show InChI InChI=1S/C21H25N3O5/c1-14(17-11-7-4-8-12-17)22-19(25)18(23-20(26)21(27)24-28)15(2)29-13-16-9-5-3-6-10-16/h3-12,14-15,18,28H,13H2,1-2H3,(H,22,25)(H,23,26)(H,24,27)/t14-,15?,18-/m0/s1
PDB
MMDB

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PubMed
3.20E+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