Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042163'   

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))	BDBM50042163 (3-(2-{6-(2-Carboxy-vinyl)-5-[6-(4-methoxy-phenyl)-...) Show SMILES COc1ccc(CCCCCCOc2ccc(CC(O)c3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C30H33NO7/c1-37-25-13-10-21(11-14-25)7-4-2-3-5-18-38-28-16-12-24(31-26(28)15-17-29(33)34)20-27(32)22-8-6-9-23(19-22)30(35)36/h6,8-17,19,27,32H,2-5,7,18,20H2,1H3,(H,33,34)(H,35,36)/b17-15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	165	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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