BDBM50357418 CHEMBL1917479

SMILES: OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)n1cc(nn1)-c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=FPLARQHVEGXNTM-DGTMBMJNSA-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 = 50357418   

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))	BDBM50357418 (CHEMBL1917479) Show SMILES OC[C@H]1O[C@@H]([C@@H](O)[C@@H](O)[C@@H]1O)n1cc(nn1)-c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C15H16F3N3O5/c16-15(17,18)8-3-1-7(2-4-8)9-5-21(20-19-9)14-13(25)12(24)11(23)10(6-22)26-14/h1-5,10-14,22-25H,6H2/t10-,11-,12+,13+,14+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Antagonist activity at Escherichia coli recombinant C-terminal 6His-tagged FimH-CRD with a C-terminal thrombin cleavage site expressed in Escherichia...				Bioorg Med Chem 19: 6454-73 (2011) Article DOI: 10.1016/j.bmc.2011.08.057 BindingDB Entry DOI: 10.7270/Q2416XGX
					More data for this Ligand-Target Pair