BDBM50396513 CHEMBL2171111

SMILES: Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1

InChI Key: InChIKey=XTAPFQXNJJGUEV-ODLFYWEKSA-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 = 50396513   

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)	BDBM50396513 (CHEMBL2171111) Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1 Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+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))	BDBM50396513 (CHEMBL2171111) Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1 Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-	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)	BDBM50396513 (CHEMBL2171111) Show SMILES Fc1ccccc1\C=C1/Sc2ccc(cc2NC1=O)C(=O)NCC1CCCN1 Show InChI InChI=1S/C21H20FN3O2S/c22-16-6-2-1-4-13(16)11-19-21(27)25-17-10-14(7-8-18(17)28-19)20(26)24-12-15-5-3-9-23-15/h1-2,4,6-8,10-11,15,23H,3,5,9,12H2,(H,24,26)(H,25,27)/b19-11-	UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+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