BDBM50241461 3,7-bis(dimethylamino)phenothiazin-5-ium chloride::Basic Blue 9::CHEMBL405110::Methylenblau::Methylene Blue anhydrous::Methylene blue::Methylene blue (10)::SAMPL5, CBC-G10::azul de metileno::bleu de methylene::cid_6099::methylthioninium chloride

SMILES CN(C)c1ccc2nc3ccc(cc3sc2c1)=[N+](C)C

InChI Key InChIKey=RBTBFTRPCNLSDE-UHFFFAOYSA-N

Data  1 KI  23 IC50  4 EC50  1 ITC

  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 = 50241461   

TargetAcetylcholinesterase(Homo sapiens (Human))
Mayo Clinic

LigandPNGBDBM50241461(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
Affinity DataKi:  110nM ΔG°:  -9.49kcal/molepH: 7.0 T: 2°CAssay Description:Assays were conducted at 25 C in 20 mM sodium phosphate buffer (pH 7.0) and 0.01% bovine serum albumin unless otherwise noted. AChE concentrations we...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 50241461   

HostPNGBDBM197310(SAMPL5, CBClip)
University of California San Diego

GuestPNGBDBM50241461(3,7-bis(dimethylamino)phenothiazin-5-ium chloride ...)
ITC DataΔG°: -10.3kcal/mole logk: 3.90E+7
pH: 7.4 T: 24.85°C 
In DepthDetails ArticlePubMed