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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 = 'BDBM50112003'   
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))
BDBM50112003
PNG
(CHEMBL435713 | N-Hydroxy-N'-[(S)-2-(1H-indol-3-yl)...)
Show SMILES C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(=O)NO)c1ccccc1
Show InChI InChI=1S/C21H22N4O4/c1-13(14-7-3-2-4-8-14)23-19(26)18(24-20(27)21(28)25-29)11-15-12-22-17-10-6-5-9-16(15)17/h2-10,12-13,18,22,29H,11H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t13-,18-/m0/s1
PDB
MMDB

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PubMed
100n/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