BDBM50396523 CHEMBL2170934

SMILES: CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1

InChI Key: InChIKey=BKWZAHOLBACJIV-HMAPJEAMSA-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 = 50396523   

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 (Plasmodium falciparum)	BDBM50396523 (CHEMBL2170934) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O3S/c1-3-27-12-6-8-18(27)15-25-23(28)17-10-11-21-19(13-17)26-24(29)22(31-21)14-16-7-4-5-9-20(16)30-2/h4-5,7,9-11,13-14,18H,3,6,8,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.13E+4	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 dehydrogenase (G6PD) (Homo sapiens (Human))	BDBM50396523 (CHEMBL2170934) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O3S/c1-3-27-12-6-8-18(27)15-25-23(28)17-10-11-21-19(13-17)26-24(29)22(31-21)14-16-7-4-5-9-20(16)30-2/h4-5,7,9-11,13-14,18H,3,6,8,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL 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 1-dehydrogenase (Plasmodium falciparum)	BDBM50396523 (CHEMBL2170934) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3OC)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O3S/c1-3-27-12-6-8-18(27)15-25-23(28)17-10-11-21-19(13-17)26-24(29)22(31-21)14-16-7-4-5-9-20(16)30-2/h4-5,7,9-11,13-14,18H,3,6,8,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.79E+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