BDBM103992 LecB Inhibitor Amides 4c

SMILES: COC1O[C@H](CNC(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=MSBMAGQUYCGJKF-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 = 103992   

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)	BDBM103992 (LecB Inhibitor Amides 4c) Show SMILES COC1O[C@H](CNC(=O)c2ccc(cc2)[N+](O)=O)[C@@H](O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C14H18N2O8/c1-23-14-12(19)11(18)10(17)9(24-14)6-15-13(20)7-2-4-8(5-3-7)16(21)22/h2-5,9-12,14,17-19H,6H2,1H3,(H-,15,20,21,22)/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	7.58E+4	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