BDBM50210340 CHEMBL3932602

SMILES: Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2s1

InChI Key: InChIKey=CBFHGFCZXHICPA-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50210340   

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))	BDBM50210340 (CHEMBL3932602) Show SMILES Brc1ccc2[nH]c(cc2c1)C(=O)Nc1nc2cc(Br)ccc2s1 Show InChI InChI=1S/C16H9Br2N3OS/c17-9-1-3-11-8(5-9)6-13(19-11)15(22)21-16-20-12-7-10(18)2-4-14(12)23-16/h1-7,19H,(H,20,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Simon Fraser University Curated by ChEMBL					Assay Description Inhibition of recombinant N-terminal His-tagged methicillin-resistant Staphylococcus aureus MRSA252 pyruvate kinase expressed in Escherichia coli BL2...				Eur J Med Chem 125: 1-13 (2017) Article DOI: 10.1016/j.ejmech.2016.09.018 BindingDB Entry DOI: 10.7270/Q2CC12P0
					More data for this Ligand-Target Pair