Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042162'   

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))	BDBM50042162 (3-{6-(3-Methoxy-benzenesulfinylmethyl)-3-[8-(4-met...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(OC)c3)nc2C=CC(O)=O)cc1 |w:33.35| Show InChI InChI=1S/C31H37NO6S/c1-36-26-16-13-24(14-17-26)10-7-5-3-4-6-8-21-38-30-19-15-25(32-29(30)18-20-31(33)34)23-39(35)28-12-9-11-27(22-28)37-2/h9,11-20,22H,3-8,10,21,23H2,1-2H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	232	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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