BDBM104000 LecB Inhibitor Amines 3d

SMILES: COC1O[C@H](CNCc2ccc(Cl)cc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=UOQUWMZBAWRMFM-WCCYQHBJSA-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 = 104000   

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)	BDBM104000 (LecB Inhibitor Amines 3d) Show SMILES COC1O[C@H](CNCc2ccc(Cl)cc2)[C@@H](O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C14H20ClNO5/c1-20-14-13(19)12(18)11(17)10(21-14)7-16-6-8-2-4-9(15)5-3-8/h2-5,10-14,16-19H,6-7H2,1H3/t10-,11-,12?,13+,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	2.12E+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