BDBM50396506 CHEMBL2170925

SMILES: CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)Nc2c1

InChI Key: InChIKey=NXFIUUQTIPXCBL-STZFKDTASA-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 = 50396506   

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)	BDBM50396506 (CHEMBL2170925) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H27N3O2S/c1-4-26(5-2)12-11-24-22(27)18-9-10-20-19(15-18)25-23(28)21(29-20)14-17-8-6-7-16(3)13-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,27)(H,25,28)/b21-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.88E+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))	BDBM50396506 (CHEMBL2170925) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H27N3O2S/c1-4-26(5-2)12-11-24-22(27)18-9-10-20-19(15-18)25-23(28)21(29-20)14-17-8-6-7-16(3)13-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,27)(H,25,28)/b21-14-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase 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)	BDBM50396506 (CHEMBL2170925) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3cccc(C)c3)C(=O)Nc2c1 Show InChI InChI=1S/C23H27N3O2S/c1-4-26(5-2)12-11-24-22(27)18-9-10-20-19(15-18)25-23(28)21(29-20)14-17-8-6-7-16(3)13-17/h6-10,13-15H,4-5,11-12H2,1-3H3,(H,24,27)(H,25,28)/b21-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.45E+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 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