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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50064346'   
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))
BDBM50064346
PNG
((8R,10S,13S)-13-Methylcarbamoyl-5,11,16-trioxo-10-...)
Show SMILES CNC(=O)[C@@H]1CCC(=O)OCCNC(=O)CC[C@@H](N[C@@H](CCc2ccccc2)C(=O)N1)C(O)=O
Show InChI InChI=1S/C23H32N4O7/c1-24-21(30)16-10-12-20(29)34-14-13-25-19(28)11-9-18(23(32)33)26-17(22(31)27-16)8-7-15-5-3-2-4-6-15/h2-6,16-18,26H,7-14H2,1H3,(H,24,30)(H,25,28)(H,27,31)(H,32,33)/t16-,17-,18+/m0/s1
PDB
MMDB

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Similars

Article
PubMed
2.90E+3n/an/an/an/an/an/an/an/a



The DuPont Merck Pharmaceutical Co.

Curated by ChEMBL


Assay Description
Inhibition of Matrix metalloproteinase-3


J Med Chem 41: 1749-51 (1998)


Article DOI: 10.1021/jm970850y
BindingDB Entry DOI: 10.7270/Q2BK1BFX
More data for this
Ligand-Target Pair