BDBM119076 MurB inhibitor (compound 13)

SMILES: CCCC[C@H](N1C(SCC1=O)c1cccc(Oc2ccc(cc2)C(C)(C)C)c1)C(O)=O

InChI Key: InChIKey=GJUSKBLDPJHIIL-BBQAJUCSSA-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 = 119076   

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 (E. coli) (Escherichia coli K-12 (Enterobacteria))	BDBM119076 (MurB inhibitor (compound 13)) Show SMILES CCCC[C@H](N1C(SCC1=O)c1cccc(Oc2ccc(cc2)C(C)(C)C)c1)C(O)=O |r| Show InChI InChI=1S/C25H31NO4S/c1-5-6-10-21(24(28)29)26-22(27)16-31-23(26)17-8-7-9-20(15-17)30-19-13-11-18(12-14-19)25(2,3)4/h7-9,11-15,21,23H,5-6,10,16H2,1-4H3,(H,28,29)/t21-,23?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia									Bioorg Chem 55: 2-15 (2014) Article DOI: 10.1016/j.bioorg.2014.03.008 BindingDB Entry DOI: 10.7270/Q2ZG6QWR
					More data for this Ligand-Target Pair