BDBM50507924 CHEMBL4459654

SMILES: COc1ccc(cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O

InChI Key: InChIKey=JZYWFNWELWKDGG-OUUKCGNVSA-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 = 50507924   

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
Adhesin protein fimH (Escherichia coli (strain K12))	BDBM50507924 (CHEMBL4459654) Show SMILES COc1ccc(cc1-c1ccccc1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1NC(C)=O)C(O)=O |r| Show InChI InChI=1S/C22H25NO9/c1-11(25)23-18-20(27)19(26)17(10-24)32-22(18)31-16-6-4-3-5-13(16)14-9-12(21(28)29)7-8-15(14)30-2/h3-9,17-20,22,24,26-27H,10H2,1-2H3,(H,23,25)(H,28,29)/t17-,18-,19+,20-,22-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Washington University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli C-terminal 6x-His-tagged biotinylated FmlH lectin domain expressed in Escherichia coli periplasm assessed as reduction...				J Med Chem 62: 467-479 (2019) Article DOI: 10.1021/acs.jmedchem.8b01561
					More data for this Ligand-Target Pair