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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50203954'   
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
Stromelysin-1


(Homo sapiens (Human))
BDBM50203954
PNG
(CHEMBL3960062)
Show SMILES OC(=O)C1CCCCN1S(=O)(=O)CCCOc1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1
Show InChI InChI=1S/C25H28N4O7S/c30-23-19-9-1-2-10-20(19)27-22(28-23)24(31)26-16-17-7-5-8-18(15-17)36-13-6-14-37(34,35)29-12-4-3-11-21(29)25(32)33/h1-2,5,7-10,15,21H,3-4,6,11-14,16H2,(H,26,31)(H,32,33)(H,27,28,30)
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PC cid
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Article
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n/an/a 370n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AMPA-activated MMP3 using Cy3-PLGLK(Cy5Q)AR-NH2 as substrate measured after 40 mins by spectrofluorimetric method


Bioorg Med Chem 24: 6149-6165 (2016)


Article DOI: 10.1016/j.bmc.2016.09.009
BindingDB Entry DOI: 10.7270/Q2H1341V
More data for this
Ligand-Target Pair