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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50203953'   
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))
BDBM50203953
PNG
(CHEMBL3932562)
Show SMILES CC(C)[C@H](NS(=O)(=O)c1ccc(cc1)-c1cccc(CNC(=O)c2nc3ccccc3c(=O)[nH]2)c1)C(=O)NO |r|
Show InChI InChI=1S/C27H27N5O6S/c1-16(2)23(26(34)31-36)32-39(37,38)20-12-10-18(11-13-20)19-7-5-6-17(14-19)15-28-27(35)24-29-22-9-4-3-8-21(22)25(33)30-24/h3-14,16,23,32,36H,15H2,1-2H3,(H,28,35)(H,31,34)(H,29,30,33)/t23-/m0/s1
PDB
MMDB

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Similars

Article
PubMed
n/an/a 1.5n/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