BDBM103987 LecB Inhibitor Triazoles 2e

SMILES: COC1O[C@H](Cn2cc(nn2)-c2ccc(C)cc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=KOQWXXFFCUSULR-AQIKHJSRSA-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 = 103987   

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)	BDBM103987 (LecB Inhibitor Triazoles 2e) Show SMILES COC1O[C@H](Cn2cc(nn2)-c2ccc(C)cc2)[C@@H](O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C16H21N3O5/c1-9-3-5-10(6-4-9)11-7-19(18-17-11)8-12-13(20)14(21)15(22)16(23-2)24-12/h3-7,12-16,20-22H,8H2,1-2H3/t12-,13-,14?,15+,16?/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.94E+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