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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50290440'   
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))
BDBM50290440
PNG
((R)-N*1*-((S)-2,2-Dimethyl-1-methylcarbamoyl-propy...)
Show SMILES CCCCCCCCCCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Show InChI InChI=1S/C24H47N3O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-19(18-20(28)27-31)22(29)26-21(23(30)25-5)24(2,3)4/h19,21,31H,6-18H2,1-5H3,(H,25,30)(H,26,29)(H,27,28)/t19-,21-/m1/s1
PDB
MMDB

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Similars

Article
n/an/a 60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant stromelysin (MMP-3, HFS)


Bioorg Med Chem Lett 7: 193-198 (1997)


Article DOI: 10.1016/S0960-894X(96)00602-6
BindingDB Entry DOI: 10.7270/Q2057FXG
More data for this
Ligand-Target Pair