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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 = 'BDBM413571'   
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))
BDBM413571
PNG
((2S)-1-butanoyl-N-[(1S)-1-[[(1S)-3-[(3,5-difluorob...)
Show SMILES CCCC(=O)N1CCC[C@H]1C(=O)N(C)[C@@H](C(C)CC)C(=O)N[C@@H](CCNC(=O)c1cc(F)cc(F)c1)C(=O)NO |r|
Show InChI InChI=1S/C27H39F2N5O6/c1-5-8-22(35)34-12-7-9-21(34)27(39)33(4)23(16(3)6-2)26(38)31-20(25(37)32-40)10-11-30-24(36)17-13-18(28)15-19(29)14-17/h13-16,20-21,23,40H,5-12H2,1-4H3,(H,30,36)(H,31,38)(H,32,37)/t16?,20-,21-,23-/m0/s1
PDB
MMDB

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US Patent
n/an/a 235n/an/an/an/an/an/a



Iproteos S.L

US Patent


Assay Description
MMP-9: Recombinant MMP-9 expressed was obtained from Merck-Millipore (catalog number PF140-5UG, used in examples 1 to 9 and comparative examples) and...


US Patent US10414797 (2019)


BindingDB Entry DOI: 10.7270/Q2KS6TWP
More data for this
Ligand-Target Pair