BDBM53638 3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5-methyl-isothiazole-4-carbonitrile::5-methyl-3-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2-thiazole-4-carbonitrile::5-methyl-3-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-1,2-thiazole-4-carbonitrile::5-methyl-3-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-4-isothiazolecarbonitrile::5-methyl-3-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-4-isothiazolecarbonitrile::MLS000695018::SMR000334646::cid_3755886

SMILES Cc1snc(SCC(=O)c2ccc(cc2)[N+]([O-])=O)c1C#N

InChI Key InChIKey=JLPANVCLWIEYAG-UHFFFAOYSA-N

Data  1 IC50

  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 = 53638   

TargetMannose-6-phosphate isomerase(Homo sapiens (Human))
Sanford-Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM53638(3-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5-methyl-i...)
Affinity DataIC50:  3.39E+4nMAssay Description:Data Source: Sanford-Burnham Center for Chemical Genomics (SBCCG) Source Affiliation: Sanford-Burnham Medical Research Institute (SBMRI, San Diego, C...More data for this Ligand-Target Pair
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