BDBM50197185 CHEMBL2058201
SMILES: CNC(=O)c1cccc(c1)-c1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c(C)c1
InChI Key: InChIKey=LECOXVSYFKTZFV-AGRFSFNASA-N
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 |
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Type 1 fimbiral adhesin FimH (Escherichia coli (strain UTI89 / UPEC)) | BDBM50197185![]() (CHEMBL2058201) | PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet ![]() | CHEMBL KEGG PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
Fimbrion Therapeutics, Inc. Curated by ChEMBL | Assay Description Inhibition of Escherichia coli UTI89 FimH-mediated biofilm formation after 48 hrs by crystal violet staining-based assay | J Med Chem 59: 9390-9408 (2016) Article DOI: 10.1021/acs.jmedchem.6b00948 BindingDB Entry DOI: 10.7270/Q2NG4SK0 | |||||||||||
More data for this Ligand-Target Pair | ![]() 3D Structure (crystal) |