Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042171'   

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))	BDBM50042171 (2-[6-(2-Carboxy-vinyl)-5-dodecyloxy-pyridin-2-ylme...) Show SMILES CCCCCCCCCCCCOc1ccc(CS(=O)c2ccccc2C(O)=O)nc1C=CC(O)=O |w:32.34| Show InChI InChI=1S/C28H37NO6S/c1-2-3-4-5-6-7-8-9-10-13-20-35-25-18-16-22(29-24(25)17-19-27(30)31)21-36(34)26-15-12-11-14-23(26)28(32)33/h11-12,14-19H,2-10,13,20-21H2,1H3,(H,30,31)(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	478	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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