BDBM50402640 CHEMBL2206706

SMILES: COc1ccc2[nH]c(cc2c1)C(C)=NNC(=O)c1cc(Br)ccc1O

InChI Key: InChIKey=GASJACRDACVLPI-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 = 50402640   

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))	BDBM50402640 (CHEMBL2206706) Show SMILES COc1ccc2[nH]c(cc2c1)C(C)=NNC(=O)c1cc(Br)ccc1O |w:13.15| Show InChI InChI=1S/C18H16BrN3O3/c1-10(16-8-11-7-13(25-2)4-5-15(11)20-16)21-22-18(24)14-9-12(19)3-6-17(14)23/h3-9,20,23H,1-2H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	178	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