null

SMILES: COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1

InChI Key: InChIKey=QUSJHWWZBZTSAD-GPYRIXEGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50388489   

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))	BDBM50388489 (CHEMBL2057296) Show SMILES COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 |r| Show InChI InChI=1S/C21H33NO3/c1-20-10-8-14(22-19(24)25-3)12-13(20)4-5-15-16-6-7-18(23)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3,(H,22,24)/t13-,14-,15-,16-,17-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
					More data for this Ligand-Target Pair
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50388489 (CHEMBL2057296) Show SMILES COC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CCC(=O)[C@@]4(C)CC[C@H]23)C1 |r| Show InChI InChI=1S/C21H33NO3/c1-20-10-8-14(22-19(24)25-3)12-13(20)4-5-15-16-6-7-18(23)21(16,2)11-9-17(15)20/h13-17H,4-12H2,1-3H3,(H,22,24)/t13-,14-,15-,16-,17-,20-,21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of G6PD in HEK293T cells assessed as accumulation of 6-phosphogluconate after 5 hrs by LC-MS/MS analysis using 6-aminonicotinamide				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