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BDBM50459312 CHEMBL4210088

SMILES: [Na;v0+].[#6]-[#6](-[#8]-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#6](-[#6])=O)-c1ccccc1

InChI Key: InChIKey=BOPUFVBVHPCNBT-AAGWESIMSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459312   
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
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic


(Plasmodium falciparum (isolate 3D7))		BDBM50459312
PNG
(CHEMBL4210088)
Show SMILES [Na;v0+].[#6]-[#6](-[#8]-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#6](-[#6])=O)-c1ccccc1
Show InChI InChI=1S/C13H18NO5P.Na/c1-11(13-7-4-3-5-8-13)19-14(12(2)15)9-6-10-20(16,17)18;/h3-8,10-11H,9H2,1-2H3,(H2,16,17,18);/q;+1/p-1/b10-6+;
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.54E+3n/an/an/an/an/an/a



George Washington University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DXR assessed as reduction in NADPH oxidation in presence of DOXP by UV-visible spectrophotometry

J Med Chem 61: 8847-8858 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01026
BindingDB Entry DOI: 10.7270/Q2S75JZ7
More data for this
Ligand-Target Pair