BDBM48716 2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxynaphthalen-2-yl]sulfanylacetic acid::2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-oxidanyl-naphthalen-2-yl]sulfanylethanoic acid::2-[[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthalenyl]thio]acetic acid::2-[[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy-2-naphthyl]thio]acetic acid::MLS000577964::SMR000198367::[(4-{[(2,5-dimethylphenyl)sulfonyl]amino}-1-hydroxy-2-naphthyl)thio]acetic acid::cid_992591

SMILES Cc1ccc(C)c(c1)S(=O)(=O)Nc1cc(SCC(O)=O)c(O)c2ccccc12

InChI Key InChIKey=LBGCQVXSEQJDOV-UHFFFAOYSA-N

Data  4 IC50

  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 2 hits for monomerid = 48716   

TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48716(2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy...)
Affinity DataIC50:  1.64E+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
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM48716(2-[4-[(2,5-dimethylphenyl)sulfonylamino]-1-hydroxy...)
Affinity DataIC50:  2.96E+3nMAssay 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
In DepthDetails PCBioAssay