BDBM50029032 CHEMBL3144208::Methyldisulfanyl analogue of coenzyme A

SMILES CSSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12

InChI Key InChIKey=FFKBJBIVDRSJLG-UHFFFAOYSA-K

Data  1 KI

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50029032   

TargetCholine O-acetyltransferase(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50029032(CHEMBL3144208 | Methyldisulfanyl analogue of coenz...)
Affinity DataKi:  2.30E+3nMAssay Description:Inhibition of choline acetyltransferase isolated from squid head gangliaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed