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Compile Data Set for Download or QSAR

Found 3 hits of affinity data for UniProtKB/TrEMBL: Q8MU52   
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
Glutathione S-transferase


(Plasmodium falciparum)
BDBM50339129
PNG
(CHEMBL1688544 | Coruleoellagic acid)
Show SMILES Oc1c(O)c2oc(=O)c3c(O)c(O)c(O)c4oc(=O)c(c1O)c2c34
Show InChI InChI=1S/C14H6O10/c15-5-3-1-2-4(14(22)23-11(1)9(19)7(5)17)6(16)8(18)10(20)12(2)24-13(3)21/h15-20H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Justus-Liebig-University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glutathione S-transferase


Antimicrob Agents Chemother 53: 622-30 (2009)


Article DOI: 10.1128/AAC.00544-08
BindingDB Entry DOI: 10.7270/Q2RR1ZJ5
More data for this
Ligand-Target Pair
Glutathione S-transferase


(Plasmodium falciparum)
BDBM50339128
PNG
(CHEMBL1688543 | Flavellagic acid)
Show SMILES Oc1cc2c3c(oc(=O)c4c(O)c(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O9/c15-3-1-2-4-5-6(14(21)23-11(4)7(3)16)8(17)9(18)10(19)12(5)22-13(2)20/h1,15-19H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.93E+4n/an/an/an/an/an/a



Justus-Liebig-University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glutathione S-transferase


Antimicrob Agents Chemother 53: 622-30 (2009)


Article DOI: 10.1128/AAC.00544-08
BindingDB Entry DOI: 10.7270/Q2RR1ZJ5
More data for this
Ligand-Target Pair
Glutathione S-transferase


(Plasmodium falciparum)
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.44E+4n/an/an/an/an/an/a



Justus-Liebig-University

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glutathione S-transferase


Antimicrob Agents Chemother 53: 622-30 (2009)


Article DOI: 10.1128/AAC.00544-08
BindingDB Entry DOI: 10.7270/Q2RR1ZJ5
More data for this
Ligand-Target Pair