BDBM50272239 4-amino-4-methyl-pent-2-ynthioic acid S-methyl ester::CHEMBL447800

SMILES CSC(=O)C#CC(C)(C)N

InChI Key InChIKey=HGJSZANHBWKRIU-UHFFFAOYSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50272239   

TargetAldehyde dehydrogenase 1A1(Homo sapiens (Human))
Claude Bernard University Lyon 1

Curated by ChEMBL
LigandPNGBDBM50272239(4-amino-4-methyl-pent-2-ynthioic acid S-methyl est...)
Affinity DataKi:  2.80E+5nMAssay Description:Inhibition of ALDH1 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed