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SMILES: CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1

InChI Key: InChIKey=SNWYWCATTRKMFA-MTJSOVHGSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50396522   

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 dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/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 1-dehydrogenase (Homo sapiens (Human))	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/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
Glucose-6-phosphate dehydrogenase (Plasmodium falciparum)	BDBM50396522 (CHEMBL2170935) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3cccc(F)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H24FN3O2S/c1-2-27-10-4-7-18(27)14-25-22(28)16-8-9-20-19(13-16)26-23(29)21(30-20)12-15-5-3-6-17(24)11-15/h3,5-6,8-9,11-13,18H,2,4,7,10,14H2,1H3,(H,25,28)(H,26,29)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.35E+3	n/a	n/a	n/a	n/a	n/a	n/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