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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50287379'   
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))
BDBM50287379
PNG
(4-[(S)-2-((R)-2-Hydroxycarbamoylmethyl-4-methyl-pe...)
Show SMILES COC(=O)c1ccc(NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)CC(=O)NO)cc1
Show InChI InChI=1S/C22H33N3O6/c1-13(2)10-16(12-19(26)25-30)20(27)24-18(11-14(3)4)21(28)23-17-8-6-15(7-9-17)22(29)31-5/h6-9,13-14,16,18,30H,10-12H2,1-5H3,(H,23,28)(H,24,27)(H,25,26)/t16-,18+/m1/s1
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PC cid
PC sid
UniChem
Article
n/an/a 0.800n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human fibroblast stromelysin, matrix metalloproteinase-3


Bioorg Med Chem Lett 6: 1601-1606 (1996)


Article DOI: 10.1016/S0960-894X(96)00283-1
BindingDB Entry DOI: 10.7270/Q2WD40JH
More data for this
Ligand-Target Pair