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BDBM50422785 CHEMBL200032

SMILES: OP(O)(O)C(CN[C@@H](C=O)c1ccccc1)P(O)(O)=O

InChI Key: InChIKey=RDOCNRXACPFHQA-RGURZIINSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422785   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Hexokinase


(Trypanosoma cruzi)
BDBM50422785
PNG
(CHEMBL200032)
Show SMILES OP(O)(O)C(CN[C@@H](C=O)c1ccccc1)P(O)(O)=O
Show InChI InChI=1S/C10H17NO7P2/c12-7-9(8-4-2-1-3-5-8)11-6-10(19(13,14)15)20(16,17)18/h1-5,7,9-11,13-15,19H,6H2,(H2,16,17,18)/t9-,10?/m0/s1
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.31E+12n/an/an/an/an/an/a



University of Illinois at Urbana-Champaign

Curated by ChEMBL


Assay Description
Inhibitory activity against Trypanosoma cruzi hexokinase


J Med Chem 49: 215-23 (2006)


Article DOI: 10.1021/jm0582625
BindingDB Entry DOI: 10.7270/Q2BV7G6G
More data for this
Ligand-Target Pair