BDBM50402598 CHEMBL2206157

SMILES: CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1

InChI Key: InChIKey=LLPTXHXUSABIMJ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50402598   

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 (Staphylococcus aureus (strain MRSA252))	BDBM50402598 (CHEMBL2206157) Show SMILES CCC(=NNC(=O)c1cc2ccccc2cc1O)c1cc2cc(Br)ccc2[nH]1 |w:3.3| Show InChI InChI=1S/C22H18BrN3O2/c1-2-18(20-11-15-9-16(23)7-8-19(15)24-20)25-26-22(28)17-10-13-5-3-4-6-14(13)12-21(17)27/h3-12,24,27H,2H2,1H3,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of methicillin-resistant Staphylococcus aureus 252 pyruvate kinase by LDH assay				Bioorg Med Chem 20: 7069-82 (2012) Article DOI: 10.1016/j.bmc.2012.10.002 BindingDB Entry DOI: 10.7270/Q2NZ88ST
					More data for this Ligand-Target Pair