BindingDB logo
myBDB logout

BDBM50459308 CHEMBL4202817

SMILES: [Na;v0+].[#6]-[#6](=O)-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#8]-[#6]-c1ccc(cc1)-c1ccccc1

InChI Key: InChIKey=LRSMLYWTNNUCGL-WLRTZDKTSA-M

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50459308   
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))		BDBM50459308
PNG
(CHEMBL4202817)
Show SMILES [Na;v0+].[#6]-[#6](=O)-[#7](-[#6]\[#6]=[#6]\P([#8])([#8-])=O)-[#8]-[#6]-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C18H20NO5P/c1-15(20)19(12-5-13-25(21,22)23)24-14-16-8-10-18(11-9-16)17-6-3-2-4-7-17/h2-11,13H,12,14H2,1H3,(H2,21,22,23)/p-1/b13-5+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.53E+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