BDBM50388500 CHEMBL2057299

SMILES: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(=O)(=O)c3ccccc3)[C@@H]1CCC2=O

InChI Key: InChIKey=UEFXXFBMXCGZJA-QAAGPNLSSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50388500   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50388500 (CHEMBL2057299) Show SMILES C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](CC[C@]34C)NS(=O)(=O)c3ccccc3)[C@@H]1CCC2=O |r| Show InChI InChI=1S/C25H35NO3S/c1-24-14-12-18(26-30(28,29)19-6-4-3-5-7-19)16-17(24)8-9-20-21-10-11-23(27)25(21,2)15-13-22(20)24/h3-7,17-18,20-22,26H,8-16H2,1-2H3/t17-,18-,20-,21-,22-,24-,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.90E+3	n/a	n/a	n/a	n/a	n/a	n/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
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