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SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CCC2=O

InChI Key: InChIKey=OWLJBFPMVOUGPP-WSVRAQSBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388498   
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))		BDBM50388498
PNG
(CHEMBL2057297)
Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(C)(=O)=O)[C@@H]1CCC2=O |r|
Show InChI InChI=1S/C20H33NO3S/c1-19-10-8-14(21-25(3,23)24)12-13(19)4-5-15-16-6-7-18(22)20(16,2)11-9-17(15)19/h13-17,21H,4-12H2,1-3H3/t13-,14-,15-,16-,17-,19-,20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.60E+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