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SMILES: OC(Cc1cccc(c1)-c1ccc(=O)[nH]c1)(P(O)(O)=O)P(O)(O)=O

InChI Key: InChIKey=VNEJJZFEJZQSIV-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50422783   
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
Phosphotransferase


(Trypanosoma cruzi)		BDBM50422783
PNG
(CHEMBL199654)
Show SMILES OC(Cc1cccc(c1)-c1ccc(=O)[nH]c1)(P(O)(O)=O)P(O)(O)=O
Show InChI InChI=1S/C13H15NO8P2/c15-12-5-4-11(8-14-12)10-3-1-2-9(6-10)7-13(16,23(17,18)19)24(20,21)22/h1-6,8,16H,7H2,(H,14,15)(H2,17,18,19)(H2,20,21,22)
UniProtKB/TrEMBL

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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