Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Type 1 fimbrin D-mannose specific adhesin' and Ligand = 'BDBM50347456'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Type 1 fimbrin D-mannose specific adhesin (Escherichia coli (strain K12))	BDBM50347456 (CHEMBL1802192) Show SMILES OC[C@H]1O[C@H](Oc2cc(Cl)c(c(Cl)c2)-c2ccc(cc2)C([O-])=O)[C@@H](O)[C@@H](O)[C@@H]1O |r| Show InChI InChI=1S/C19H18Cl2O8/c20-11-5-10(28-19-17(25)16(24)15(23)13(7-22)29-19)6-12(21)14(11)8-1-3-9(4-2-8)18(26)27/h1-6,13,15-17,19,22-25H,7H2,(H,26,27)/p-1/t13-,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	23.9	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
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