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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 = 'BDBM50290673'   
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))
BDBM50290673
PNG
(6-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-2-mercapto...)
Show SMILES CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)C(S)CCCCN1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C30H38N4O5S/c1-19(2)17-23(27(36)32-24(26(35)31-3)18-20-11-5-4-6-12-20)33-28(37)25(40)15-9-10-16-34-29(38)21-13-7-8-14-22(21)30(34)39/h4-8,11-14,19,23-25,40H,9-10,15-18H2,1-3H3,(H,31,35)(H,32,36)(H,33,37)/t23-,24-,25?/m0/s1
PDB
MMDB

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Similars

Article
n/an/a 30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of matrix metalloproteinase-9, MMP-9


Bioorg Med Chem Lett 7: 2765-2770 (1997)


Article DOI: 10.1016/S0960-894X(97)10069-5
BindingDB Entry DOI: 10.7270/Q29G5MTB
More data for this
Ligand-Target Pair