BDBM103993 LecB Inhibitor Amides 4d

SMILES: COC1O[C@H](CNC(=O)c2cc(cc(c2)[N+](O)=O)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=SHKLFJPZYLMEEI-URAZPXEYSA-O

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 = 103993   

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
LecB (Pseudomonas aeruginosa)	BDBM103993 (LecB Inhibitor Amides 4d) Show SMILES COC1O[C@H](CNC(=O)c2cc(cc(c2)[N+](O)=O)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C14H18N3O10/c1-26-14-12(20)11(19)10(18)9(27-14)5-15-13(21)6-2-7(16(22)23)4-8(3-6)17(24)25/h2-4,9-12,14,18-20H,5H2,1H3,(H2-,15,21,22,23,24,25)/q+1/p+1/t9-,10-,11?,12+,14?/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Konstanz									ACS Chem Biol 8: 1775-84 (2013) Article DOI: 10.1021/cb400371r BindingDB Entry DOI: 10.7270/Q21J98C3
					More data for this Ligand-Target Pair