BDBM103995 LecB Inhibitor Amides 4f

SMILES: COC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O

InChI Key: InChIKey=IKPSHISOVRXADL-YNBHJORCSA-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 = 103995   

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)	BDBM103995 (LecB Inhibitor Amides 4f) Show SMILES COC1O[C@H](CNC(=O)C(c2ccccc2)c2ccccc2)[C@@H](O)C(O)[C@@H]1O |r| Show InChI InChI=1S/C21H25NO6/c1-27-21-19(25)18(24)17(23)15(28-21)12-22-20(26)16(13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15-19,21,23-25H,12H2,1H3,(H,22,26)/t15-,17-,18?,19+,21?/m1/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.61E+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