BDBM50396509 CHEMBL2170922

SMILES: CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1

InChI Key: InChIKey=XMIUZHBZBZCTRN-ZHZULCJRSA-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 = 50396509   

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)	BDBM50396509 (CHEMBL2170922) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C22H25N3O2S/c1-3-25(4-2)13-12-23-21(26)17-10-11-19-18(15-17)24-22(27)20(28-19)14-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.84E+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))	BDBM50396509 (CHEMBL2170922) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C22H25N3O2S/c1-3-25(4-2)13-12-23-21(26)17-10-11-19-18(15-17)24-22(27)20(28-19)14-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/b20-14-	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)	BDBM50396509 (CHEMBL2170922) Show SMILES CCN(CC)CCNC(=O)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C22H25N3O2S/c1-3-25(4-2)13-12-23-21(26)17-10-11-19-18(15-17)24-22(27)20(28-19)14-16-8-6-5-7-9-16/h5-11,14-15H,3-4,12-13H2,1-2H3,(H,23,26)(H,24,27)/b20-14-	UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.80E+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