BDBM50396519 CHEMBL2170938

SMILES: CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1

InChI Key: InChIKey=LFXUVASFWMONBG-MTJSOVHGSA-N

Data: 3 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 3 hits for monomerid = 50396519   

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)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.61E+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))	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/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)	BDBM50396519 (CHEMBL2170938) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3c(F)cccc3F)C(=O)Nc2c1 Show InChI InChI=1S/C23H23F2N3O2S/c1-2-28-10-4-5-15(28)13-26-22(29)14-8-9-20-19(11-14)27-23(30)21(31-20)12-16-17(24)6-3-7-18(16)25/h3,6-9,11-12,15H,2,4-5,10,13H2,1H3,(H,26,29)(H,27,30)/b21-12-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.65E+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