BDBM50446096 CHEMBL3108862

SMILES: CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1

InChI Key: InChIKey=TYULLOFEMGFUPS-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50446096   

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
6-phospho-1-fructokinase (Trypanosoma brucei)	BDBM50446096 (CHEMBL3108862) Show SMILES CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 Show InChI InChI=1S/C23H20Cl2N2O5S/c1-2-32-23(29)16-4-3-5-18(14-16)27-33(30,31)19-9-7-17(8-10-19)26-22(28)13-15-6-11-20(24)21(25)12-15/h3-12,14,27H,2,13H2,1H3,(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei PFK-mediated ADP production using ATP/fructose-6-phosphate as substrate by luciferase based luminescence assay				ACS Med Chem Lett 5: 12-7 (2014) BindingDB Entry DOI: 10.7270/Q2X34ZX7
					More data for this Ligand-Target Pair
6-phospho-1-fructokinase, putative (Trypanosoma cruzi)	BDBM50446096 (CHEMBL3108862) Show SMILES CCOC(=O)c1cccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)c1 Show InChI InChI=1S/C23H20Cl2N2O5S/c1-2-32-23(29)16-4-3-5-18(14-16)27-33(30,31)19-9-7-17(8-10-19)26-22(28)13-15-6-11-20(24)21(25)12-15/h3-12,14,27H,2,13H2,1H3,(H,26,28)	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>5.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
National Center for Advancing Translational Sciences Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi PFK				ACS Med Chem Lett 5: 12-7 (2014) BindingDB Entry DOI: 10.7270/Q2X34ZX7
					More data for this Ligand-Target Pair