BDBM50250 (NZ)-4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]benzenesulfonamide::4-isopropyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-ylthio)naphthalen-1(4H)-ylidene]benzenesulfonamide::4-isopropyl-N-[4-keto-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthylidene]benzenesulfonamide::MLS000585906::N-[4-oxidanylidene-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]-4-propan-2-yl-benzenesulfonamide::N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]-4-propan-2-ylbenzenesulfonamide::N-[4-oxo-3-(1H-1,2,4-triazol-5-ylthio)-1-naphthalenylidene]-4-propan-2-ylbenzenesulfonamide::SMR000207687::cid_3318359

SMILES CC(C)c1ccc(cc1)S(=O)(=O)N=C1C=C(Sc2nnc[nH]2)C(=O)c2ccccc12

InChI Key InChIKey=DCRFDHQSWQJQBT-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50250   

LigandPNGBDBM50250(4-isopropyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-yl...)
Affinity DataIC50: 1.35E+3nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Nikolovska-Coleska, Univer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50250(4-isopropyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-yl...)
Affinity DataIC50: 2.88E+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 Depth
Date in BDB:
8/3/2011
Entry Details
PCBioAssay
TargetHexokinase HKDC1 [W721R](Human)
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM50250(4-isopropyl-N-[(1Z)-4-oxo-3-(1H-1,2,4-triazol-3-yl...)
Affinity DataIC50: 5.87E+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 Depth
Date in BDB:
8/4/2011
Entry Details
PCBioAssay