Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Fucose-binding lectin PA-IIL' and Ligand = 'BDBM50505612'   

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
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505612 (CHEMBL4548572) Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505612 (CHEMBL4548572) Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Inhibition of Pseudomonas aeruginosa PAO1 LecB after 6 hrs by fluorescence polarization assay				J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505612 (CHEMBL4548572) Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01039 BindingDB Entry DOI: 10.7270/Q2NS0ZZK
					More data for this Ligand-Target Pair
Fucose-binding lectin PA-IIL (Pseudomonas aeruginosa)	BDBM50505612 (CHEMBL4548572) Show SMILES COc1ccc(\C=C\C(=O)NC[C@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1OC |r| Show InChI InChI=1S/C18H25NO7/c1-10-16(21)18(23)17(22)14(26-10)9-19-15(20)7-5-11-4-6-12(24-2)13(8-11)25-3/h4-8,10,14,16-18,21-23H,9H2,1-3H3,(H,19,20)/b7-5+/t10-,14+,16+,17+,18+/m0/s1	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Helmholtz Institute for Pharmaceutical Research Saarland (HIPS) Curated by ChEMBL					Assay Description Competitive inhibition of N-(fluorescein-5-yl)-N'-(alpha-L-fucopyranosyl ethylen)-thiocarbamide binding to Pseudomonas aeruginosa PA14 LecB after 8 t...				J Med Chem 62: 9201-9216 (2019) Article DOI: 10.1021/acs.jmedchem.9b01120 BindingDB Entry DOI: 10.7270/Q2445QRP
					More data for this Ligand-Target Pair