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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Stromelysin-1' and Ligand = 'BDBM50076374'   
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))
BDBM50076374
PNG
(1-((S)-1-Benzyl-2-oxo-2-thiomorpholin-4-yl-ethyl)-...)
Show SMILES Sc1nnc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCSCC2)s1
Show InChI InChI=1S/C16H19N5O2S3/c22-13(21-6-8-25-9-7-21)12(10-11-4-2-1-3-5-11)17-14(23)18-15-19-20-16(24)26-15/h1-5,12H,6-10H2,(H,20,24)(H2,17,18,19,23)/t12-/m0/s1
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Similars

Article
PubMed
380n/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