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PDB code 3DGQ

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 2 hits Enzyme Inhibition Constant Data   
Target
(Institution)
LigandTarget
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 transferase (GST)


(Plasmodium falciparum)
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
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CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents

AffyNet 
Article
PubMed
n/an/a 3.40E+3n/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1 in human HL60 cell lysate


Citation and Details
More data for this
Ligand-Target Pair
Glutathione transferase (GST)


(Plasmodium falciparum)
BDBM50186231
PNG
((2,3-Dichloro-4-(2-methylene-1-oxobutyl)phenoxy)ac...)
Show SMILES CCC(=C)C(=O)c1ccc(OCC(O)=O)c(Cl)c1Cl
Show InChI InChI=1S/C13H12Cl2O4/c1-3-7(2)13(18)8-4-5-9(12(15)11(8)14)19-6-10(16)17/h4-5H,2-3,6H2,1H3,(H,16,17)
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
SMPDB pathway

Patents

AffyNet 
Article
PubMed
n/an/a 4.00E+3n/an/an/an/an/an/a



Syntrix Biosytems

Curated by ChEMBL


Assay Description
Inhibition of GST P1-1


Citation and Details
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output