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
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Choline acetylase (Homo sapiens (Human)) | BDBM50029032 (CHEMBL3144208 | Methyldisulfanyl analogue of coenz...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Similars | PubMed | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of choline acetyltransferase isolated from squid head ganglia | J Med Chem 24: 1534-7 (1982) BindingDB Entry DOI: 10.7270/Q2T43TMK | |||||||||||
More data for this Ligand-Target Pair |