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Compile Data Set for Download or QSAR

Found 3 hits of ic50 for monomerid = 50396525   
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
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396525
PNG
(CHEMBL2170932)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1/C23H25N3O2S/c1-2-26-12-6-9-18(26)15-24-22(27)17-10-11-20-19(14-17)25-23(28)21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3,(H,24,27)(H,25,28)/b21-13-
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.23E+3n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 2 hrs by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase


(Plasmodium falciparum)
BDBM50396525
PNG
(CHEMBL2170932)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1/C23H25N3O2S/c1-2-26-12-6-9-18(26)15-24-22(27)17-10-11-20-19(14-17)25-23(28)21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3,(H,24,27)(H,25,28)/b21-13-
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.97E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of Plasmodium falciparum glucose-6-phosphate dehydrogenase after 45 mins by orthogonal assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair
Glucose 6-phosphate dehydrogenase (G6PD)


(Homo sapiens (Human))
BDBM50396525
PNG
(CHEMBL2170932)
Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1
Show InChI InChI=1/C23H25N3O2S/c1-2-26-12-6-9-18(26)15-24-22(27)17-10-11-20-19(14-17)25-23(28)21(29-20)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,18H,2,6,9,12,15H2,1H3,(H,24,27)(H,25,28)/b21-13-
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>8.00E+4n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay


J Med Chem 55: 7262-72 (2012)


Article DOI: 10.1021/jm300833h
BindingDB Entry DOI: 10.7270/Q25T3MM3
More data for this
Ligand-Target Pair