BDBM50507949 CHEMBL4474727

SMILES: Cc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)C(F)(F)F)c1-c1cccc(NS(C)(=O)=O)c1

InChI Key: InChIKey=QRRHJJDUPXLCCS-XIKSMUEASA-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 = 50507949   

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))	BDBM50507949 (CHEMBL4474727) Show SMILES Cc1cccc(O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2NC(=O)C(F)(F)F)c1-c1cccc(NS(C)(=O)=O)c1 |r| Show InChI InChI=1S/C22H25F3N2O8S/c1-11-5-3-8-14(16(11)12-6-4-7-13(9-12)27-36(2,32)33)34-20-17(26-21(31)22(23,24)25)19(30)18(29)15(10-28)35-20/h3-9,15,17-20,27-30H,10H2,1-2H3,(H,26,31)/t15-,17-,18+,19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+4	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