BDBM80733 MLS001218974::N-(2-Bromo-4-nitro-phenyl)-2-(5-pyridin-3-yl-2H-[1,2,4]triazol-3-ylsulfanyl)-acetamide::N-(2-bromanyl-4-nitro-phenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide::N-(2-bromo-4-nitro-phenyl)-2-[[5-(3-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide::N-(2-bromo-4-nitrophenyl)-2-[(5-pyridin-3-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide::N-(2-bromo-4-nitrophenyl)-2-[[5-(3-pyridinyl)-1H-1,2,4-triazol-3-yl]thio]acetamide::SMR000608376::cid_3129573

SMILES [O-][N+](=O)c1ccc(NC(=O)CSc2nnc([nH]2)-c2cccnc2)c(Br)c1

InChI Key InChIKey=UIVZNIJPYCPGNP-UHFFFAOYSA-N

Data  2 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 = 80733   

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

Curated by PubChem BioAssay
LigandPNGBDBM80733(MLS001218974 | N-(2-Bromo-4-nitro-phenyl)-2-(5-pyr...)
Affinity DataIC50:  5.71E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80733(MLS001218974 | N-(2-Bromo-4-nitro-phenyl)-2-(5-pyr...)
Affinity DataIC50:  5.92E+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
Ligand InfoPC cidPC sid
In DepthDetails PCBioAssay