BDBM50402635 CHEMBL2206713

SMILES: CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C

InChI Key: InChIKey=VAEKLLSIEDZGMM-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 = 50402635   

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))	BDBM50402635 (CHEMBL2206713) Show SMILES CC(=NNC(=O)c1cc(Br)ccc1O)c1cc2ccccc2n1C |w:2.2| Show InChI InChI=1S/C18H16BrN3O2/c1-11(16-9-12-5-3-4-6-15(12)22(16)2)20-21-18(24)14-10-13(19)7-8-17(14)23/h3-10,23H,1-2H3,(H,21,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	381	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