BDBM80713 MLS000707808::N-(2-chloranyl-5-morpholin-4-ylsulfonyl-phenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]ethanamide::N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetamide::N-(2-chloro-5-morpholinosulfonyl-phenyl)-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide::N-[2-chloro-5-(4-morpholinylsulfonyl)phenyl]-2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio]acetamide::SMR000243972::cid_4831360

SMILES Cc1cc2nnc(SCC(=O)Nc3cc(ccc3Cl)S(=O)(=O)N3CCOCC3)n2c2ccccc12

InChI Key InChIKey=KGDNXWDUUPVAOD-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 = 80713   

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

Curated by PubChem BioAssay
LigandPNGBDBM80713(MLS000707808 | N-(2-chloranyl-5-morpholin-4-ylsulf...)
Affinity DataIC50:  1.80E+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
LigandPNGBDBM80713(MLS000707808 | N-(2-chloranyl-5-morpholin-4-ylsulf...)
Affinity DataIC50:  3.16E+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