Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042176'   

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))	BDBM50042176 (3-{6-(3-Benzenesulfonylamino-phenylsulfanylmethyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NS(=O)(=O)c4ccccc4)c3)nc2\C=C\C(O)=O)cc1 Show InChI InChI=1S/C36H40N2O6S2/c1-43-31-20-17-28(18-21-31)12-7-4-2-3-5-10-25-44-35-23-19-30(37-34(35)22-24-36(39)40)27-45-32-14-11-13-29(26-32)38-46(41,42)33-15-8-6-9-16-33/h6,8-9,11,13-24,26,38H,2-5,7,10,12,25,27H2,1H3,(H,39,40)/b24-22+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	609	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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