BDBM80700 2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione::2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione::2-[3-[5-[[2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-dione::2-[3-[5-[[2-[4-(2-hydroxyethyl)piperazino]-2-keto-ethyl]thio]-4-phenyl-1,2,4-triazol-3-yl]propyl]benzo[de]isoquinoline-1,3-quinone::2-{3-[5-({2-[4-(2-hydroxyethyl)-1-piperazinyl]-2-oxoethyl}thio)-4-phenyl-4H-1,2,4-triazol-3-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione::MLS000572547::SMR000194046::cid_2884046

SMILES OCCN1CCN(CC1)C(=O)CSc1nnc(CCCN2C(=O)c3cccc4cccc(C2=O)c34)n1-c1ccccc1

InChI Key InChIKey=JJAYFZJFTVCLAQ-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 = 80700   

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

Curated by PubChem BioAssay
LigandPNGBDBM80700(2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-ox...)
Affinity DataIC50:  7.31E+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
TargetHexokinase HKDC1 [W721R](Homo sapiens (Human))
Burnham Center For Chemical Genomics

Curated by PubChem BioAssay
LigandPNGBDBM80700(2-[3-[5-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-ox...)
Affinity DataIC50:  9.27E+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