Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042155'   

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
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50042155 (3-[3-[8-(4-Methoxy-phenyl)-octyloxy]-6-(3-trifluor...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)C(F)(F)F)c3)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C31H35F3N2O6S2/c1-41-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-42-29-18-14-25(35-28(29)17-19-30(37)38)22-43-27-11-8-10-24(21-27)36-44(39,40)31(32,33)34/h8,10-19,21,36H,2-7,9,20,22H2,1H3,(H,37,38)/b19-17+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	284	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity of [3H]-LTB4 to receptors on intact human polymorphonuclear leukocytes				J Med Chem 36: 3321-32 (1993) BindingDB Entry DOI: 10.7270/Q2G73CRX
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