BDBM50347458 CHEMBL1802195

SMILES: OC[C@H]1O[C@H](Oc2cc(ccc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O

InChI Key: InChIKey=ALUNGCAEHOCZGD-GJGATLCTSA-M

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 = 50347458   

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))	BDBM50347458 (CHEMBL1802195) Show SMILES OC[C@H]1O[C@H](Oc2cc(ccc2Cl)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H19ClO8/c20-12-6-5-11(9-1-3-10(4-2-9)18(25)26)7-13(12)27-19-17(24)16(23)15(22)14(8-21)28-19/h1-7,14-17,19,21-24H,8H2,(H,25,26)/p-1/t14-,15-,16+,17+,19+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29.2	n/a	n/a	n/a	n/a	n/a	n/a
University of Basel Curated by ChEMBL					Assay Description Competitive inhibition of His-tagged FimH carbohydrate recognizing domain expressed in Escherichia coli HM125 using ABTS-substrate after 3 hrs by cal...				J Med Chem 53: 8627-41 (2010) Article DOI: 10.1021/jm101011y BindingDB Entry DOI: 10.7270/Q2Z32003
					More data for this Ligand-Target Pair