BDBM119077 MurB inhibitor (compound 14)

SMILES: CCCC[C@@H](C(O)=O)n1c(cn(Cc2ccccc2)c1=O)-c1cccc(Oc2ccc(cc2)C(C)(C)C)c1

InChI Key: InChIKey=XJCSWVYUOWXVPM-NDEPHWFRSA-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 = 119077   

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))	BDBM119077 (MurB inhibitor (compound 14)) Show SMILES CCCC[C@@H](C(O)=O)n1c(cn(Cc2ccccc2)c1=O)-c1cccc(Oc2ccc(cc2)C(C)(C)C)c1 |r| Show InChI InChI=1S/C32H36N2O4/c1-5-6-15-28(30(35)36)34-29(22-33(31(34)37)21-23-11-8-7-9-12-23)24-13-10-14-27(20-24)38-26-18-16-25(17-19-26)32(2,3)4/h7-14,16-20,22,28H,5-6,15,21H2,1-4H3,(H,35,36)/t28-/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