BDBM50221021 CHEMBL86981

SMILES: Oc1c2CCCCc2nn1-c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=PQUWZQKNLDTEPW-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 = 50221021   

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
MurB (S. aureus) (Staphylococcus aureus (Firmicutes))	BDBM50221021 (CHEMBL86981) Show SMILES Oc1c2CCCCc2nn1-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C13H12Cl2N2O/c14-10-6-5-8(7-11(10)15)17-13(18)9-3-1-2-4-12(9)16-17/h5-7,18H,1-4H2	PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>8.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase				Bioorg Med Chem Lett 13: 2591-4 (2003) BindingDB Entry DOI: 10.7270/Q20P126D
					More data for this Ligand-Target Pair