BDBM50402603 CHEMBL2206151

SMILES: Oc1ccc(Br)cc1C(=O)NN=C(c1cc2ccccc2[nH]1)c1ccccc1

InChI Key: InChIKey=HSLNFBOSJACNKR-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 = 50402603   

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))	BDBM50402603 (CHEMBL2206151) Show SMILES Oc1ccc(Br)cc1C(=O)NN=C(c1cc2ccccc2[nH]1)c1ccccc1 |w:11.11| Show InChI InChI=1S/C22H16BrN3O2/c23-16-10-11-20(27)17(13-16)22(28)26-25-21(14-6-2-1-3-7-14)19-12-15-8-4-5-9-18(15)24-19/h1-13,24,27H,(H,26,28)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	445	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