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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50078185'   
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))
BDBM50078185
PNG
(CHEMBL3417756)
Show SMILES COc1ccccc1Oc1ccc(cc1)S(=O)(=O)C1(CCC2(C1)CCNCC2)C(=O)NO
Show InChI InChI=1S/C23H28N2O6S/c1-30-19-4-2-3-5-20(19)31-17-6-8-18(9-7-17)32(28,29)23(21(26)25-27)11-10-22(16-23)12-14-24-15-13-22/h2-9,24,27H,10-16H2,1H3,(H,25,26)
PDB
MMDB

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Similars

Article
PubMed
n/an/a 916n/an/an/an/an/an/a



University of Navarra

Curated by ChEMBL


Assay Description
Inhibition of MMP-3 (unknown origin) measured every minute for 1 hr by fluorescence assay


J Med Chem 58: 2465-88 (2015)


Article DOI: 10.1021/jm501940y
BindingDB Entry DOI: 10.7270/Q28C9XXK
More data for this
Ligand-Target Pair