BDBM94597 (Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one::(Z)-but-2-enedioate;10-(1-methylpiperidin-4-ylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one::10-(1-methyl-4-piperidylidene)-5H-benzo[1,2]cyclohepta[3,4-b]thiophen-4-one;maleate::Ketotifen::Ketotifen fumarate::MLS002222254::SMR001307257::US9138431, KETOTIFEN::US9333199, KETOTIFEN::cid_45479747::cid_5282408

SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccsc2-[#6](=O)-[#6]-c2ccccc-12

InChI Key InChIKey=ZCVMWBYGMWKGHF-UHFFFAOYSA-N

Data  4 KI  19 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 94597   

TargetGlutathione reductase, mitochondrial(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  800nM ΔG°:  -8.31kcal/mole IC50:  1.20E+4nMpH: 8.0 T: 2°CAssay Description:GR activity was determined by the method of Carlberg and Mannervik [Carlberg et al., FL:Academic Press, 72:248-254] with a Shimadzu Spectrophotometer...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetGlucose-6-phosphate 1-dehydrogenase(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  5.20E+3nM IC50:  8.00E+3nMAssay Description:Ketotifen, dacarbazine, thiocolchicoside, meloxicam, methotrexate, furosemide, olanzapine, methylprednizolone acetate, paricalcitol, ritodrine hydroc...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
Target6-phosphogluconate dehydrogenase, decarboxylating(Homo sapiens (Human))
Ataturk University

LigandPNGBDBM94597((Z)-2-butenedioate;10-(1-methyl-4-piperidinylidene...)
Affinity DataKi:  8.30E+3nM IC50:  8.40E+3nMAssay Description:In order to determine the effects of some drugs on human 6PGD, concentrations of ketotifen (0.0018-0.0282 mM), dacarbazine (0.0049-0.054 mM), meloxic...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMedDrugBank