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BDBM50459307 CHEMBL4215008

SMILES: [Na;v0+].[#6]-[#6](-[#6])-c1ccc(-[#6]-[#8]-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#6](-[#6])=O)cc1

InChI Key: InChIKey=BLGMWKSBNXCKNK-ONNFQVAWSA-M

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459307   
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))		BDBM50459307
PNG
(CHEMBL4215008)
Show SMILES [Na;v0+].[#6]-[#6](-[#6])-c1ccc(-[#6]-[#8]-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#6](-[#6])=O)cc1
Show InChI InChI=1S/C15H22NO5P/c1-12(2)15-7-5-14(6-8-15)11-21-16(13(3)17)9-4-10-22(18,19)20/h4-8,10,12H,9,11H2,1-3H3,(H2,18,19,20)/p-1/b10-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.11E+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