BDBM85108 AANAT bisubstrate analog, 3

SMILES CC(C)(COP(O)(=O)OP(O)(=O)OC[C@H]1OC([C@@H](O)[C@@H]1OP(O)(O)=O)n1cnc2c(N)ncnc12)[C@@H](O)C(=O)NCCC(=O)NCCSCCC(=O)CCCc1c[nH]c2ccccc12

InChI Key InChIKey=WZBOPLHVDPQQSX-OUBFPCQSSA-N

Data  1 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 85108   

TargetSerotonin N-acetyltransferase(Homo sapiens (Human))
Johns Hopkins University School of Medicine

LigandPNGBDBM85108(AANAT bisubstrate analog, 3)
Affinity DataKi:  32nM ΔG°:  -10.4kcal/molepH: 6.8 T: 2°CAssay Description:AANAT activity was measured using a spectrophotometric assay in which the enzymatic product CoASH concentration were determined indirectly by monitor...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed