BDBM50402625 CHEMBL2206162

SMILES: CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2s1

InChI Key: InChIKey=XAZXOBJILDAGEL-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 = 50402625   

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))	BDBM50402625 (CHEMBL2206162) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1nc2ccccc2s1 |w:2.2| Show InChI InChI=1S/C16H12BrN3O2S/c1-9(16-18-12-4-2-3-5-14(12)23-16)19-20-15(22)11-8-10(17)6-7-13(11)21/h2-8,21H,1H3,(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	224	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