BDBM50512405 CHEMBL4466819

SMILES [H][C@]12CCC(=C)[C@@H](\C=C\C3=CCOC3=O)[C@]1(C)CCC(=O)N[C@@]2(C)COC(=O)CCCC[C@@H]1CCSS1

InChI Key InChIKey=KSKACYQALUPWSV-UHFFFAOYSA-N

Data  1 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50512405   

TargetHexokinase-2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50512405(CHEMBL4466819)
Affinity DataKd:  5.12E+3nMAssay Description:Binding affinity to recombinant human HK2 expressed in Escherichia coli BL21(DE3) assessed as dissociation constant measured after 15 mins by microsc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed
TargetHexokinase-2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50512405(CHEMBL4466819)
Affinity DataIC50: 9.36E+3nMAssay Description:Inhibition of recombinant human HK2 expressed in Escherichia coli BL21(DE3) using glucose as substrate preincubated for 10 mins followed by substrate...More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/20/2021
Entry Details Article
PubMed