BDBM50402611 CHEMBL2206183

SMILES: COc1cc(O)c(cc1Br)C(=O)NN=C(C)c1cc2ccccc2n1C

InChI Key: InChIKey=HMIICCGUWAUSCK-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 = 50402611   

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))	BDBM50402611 (CHEMBL2206183) Show SMILES COc1cc(O)c(cc1Br)C(=O)NN=C(C)c1cc2ccccc2n1C |w:13.13| Show InChI InChI=1S/C19H18BrN3O3/c1-11(16-8-12-6-4-5-7-15(12)23(16)2)21-22-19(25)13-9-14(20)18(26-3)10-17(13)24/h4-10,24H,1-3H3,(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	841	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