BDBM50361503 CHEMBL1939099

SMILES: Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2N2CCCC2)cc1C

InChI Key: InChIKey=ZMERFADMZRTONY-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 = 50361503   

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))	BDBM50361503 (CHEMBL1939099) Show SMILES Cc1ccc(NS(=O)(=O)c2cc3CCC(=O)Nc3cc2N2CCCC2)cc1C Show InChI InChI=1S/C21H25N3O3S/c1-14-5-7-17(11-15(14)2)23-28(26,27)20-12-16-6-8-21(25)22-18(16)13-19(20)24-9-3-4-10-24/h5,7,11-13,23H,3-4,6,8-10H2,1-2H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	510	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