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SMILES: C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO

InChI Key: InChIKey=XWYBFXIUISNTQG-KMNUWYNSSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388484   
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
Glucose-6-phosphate 1-dehydrogenase


(Homo sapiens (Human))		BDBM50388484
PNG
(CHEMBL2057978)
Show SMILES C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO |r|
Show InChI InChI=1S/C21H32O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-16,19,22-23H,3-11H2,1-2H3/t12-,13-,14-,15-,16+,19+,20-,21-/m0/s1
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Similars
Article
PubMed
n/an/a 6.30E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal His tagged G6PD expressed in Escherichia coli JM109 (DE3) cells assessed as production of NADPH after 30 m...

J Med Chem 55: 4431-45 (2012)


Article DOI: 10.1021/jm300317k
BindingDB Entry DOI: 10.7270/Q298883V
More data for this
Ligand-Target Pair