BDBM50210356 CHEMBL3898387

SMILES: Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1

InChI Key: InChIKey=YPPOSXZWMQCFIL-GORDUTHDSA-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 = 50210356   

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))	BDBM50210356 (CHEMBL3898387) Show SMILES Oc1ccc(Br)cc1\C=C\C(=O)c1cc2ccc(Br)cc2[nH]1 Show InChI InChI=1S/C17H11Br2NO2/c18-12-4-6-16(21)11(7-12)2-5-17(22)15-8-10-1-3-13(19)9-14(10)20-15/h1-9,20-21H/b5-2+	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	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