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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50076357'   
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))
BDBM50076357
PNG
((S)-3-Phenyl-2-[3-(5-thioxo-4,5-dihydro-[1,3,4]thi...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1nnc(S)s1
Show InChI InChI=1S/C13H14N4O3S2/c1-20-10(18)9(7-8-5-3-2-4-6-8)14-11(19)15-12-16-17-13(21)22-12/h2-6,9H,7H2,1H3,(H,17,21)(H2,14,15,16,19)/t9-/m0/s1
PDB
MMDB

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Article
PubMed
290n/an/an/an/an/an/an/an/a



Pharmacia and Upjohn

Curated by ChEMBL


Assay Description
Binding affinity for matrix metalloproteinase-3


J Med Chem 42: 1525-36 (1999)


Article DOI: 10.1021/jm9803222
BindingDB Entry DOI: 10.7270/Q2C828G4
More data for this
Ligand-Target Pair