BDBM50361509 CHEMBL1939093

SMILES: Cc1ccc(NS(=O)(=O)c2cc3OCC(=O)Nc3cc2C)cc1C

InChI Key: InChIKey=OHQSSKLYMQFLQN-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50361509   

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
Pyruvate kinase (PKM2) (Homo sapiens (Human))	BDBM50361509 (CHEMBL1939093) Show SMILES Cc1ccc(NS(=O)(=O)c2cc3OCC(=O)Nc3cc2C)cc1C Show InChI InChI=1S/C17H18N2O4S/c1-10-4-5-13(6-11(10)2)19-24(21,22)16-8-15-14(7-12(16)3)18-17(20)9-23-15/h4-8,19H,9H2,1-3H3,(H,18,20)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	480	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay				Bioorg Med Chem Lett 21: 6322-7 (2011) Article DOI: 10.1016/j.bmcl.2011.08.114 BindingDB Entry DOI: 10.7270/Q28C9WQG
					More data for this Ligand-Target Pair