BDBM50505594 CHEMBL4448991

SMILES: C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H](O)[C@H](O)[C@@H]1O

InChI Key: InChIKey=CUCJZMCQSJRQDO-LMYWXWJPSA-N

Data: 2 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 2 hits for monomerid = 50505594   

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)	BDBM50505594 (CHEMBL4448991) Show SMILES C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19NO6/c1-8-13(18)15(20)14(19)12(22-8)7-17-16(21)11-6-9-4-2-3-5-10(9)23-11/h2-6,8,12-15,18-20H,7H2,1H3,(H,17,21)/t8-,12+,13+,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PAO1 LecB incubated for 22 to 24...				J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120
					More data for this Ligand-Target Pair
LecB (Pseudomonas aeruginosa)	BDBM50505594 (CHEMBL4448991) Show SMILES C[C@@H]1O[C@H](CNC(=O)c2cc3ccccc3o2)[C@@H](O)[C@H](O)[C@@H]1O |r| Show InChI InChI=1S/C16H19NO6/c1-8-13(18)15(20)14(19)12(22-8)7-17-16(21)11-6-9-4-2-3-5-10(9)23-11/h2-6,8,12-15,18-20H,7H2,1H3,(H,17,21)/t8-,12+,13+,14+,15+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB incubated for 22 to 24...				J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120
					More data for this Ligand-Target Pair