BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic' and Ligand = 'BDBM50459311'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/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))
BDBM50459311
PNG
(CHEMBL1922604 | FR900098)
Show SMILES [Na;v0+].[#6]-[#6](=O)-[#7](-[#8])-[#6]-[#6]-[#6]P([#8])([#8-])=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/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
1-deoxy-D-xylulose 5-phosphate reductoisomerase, apicoplastic


(Plasmodium falciparum (isolate 3D7))
BDBM50459311
PNG
(CHEMBL1922604 | FR900098)
Show SMILES [Na;v0+].[#6]-[#6](=O)-[#7](-[#8])-[#6]-[#6]-[#6]P([#8])([#8-])=O
Show InChI InChI=1S/C5H12NO5P/c1-5(7)6(8)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



George Washington University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum DXR


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