Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042181'   

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))	BDBM50042181 (3-{6-(3-Amino-phenylsulfanylmethyl)-3-[8-(4-triflu...) Show SMILES Nc1cccc(SCc2ccc(OCCCCCCCCc3ccc(cc3)C(F)(F)F)c(\C=C\C(O)=O)n2)c1 Show InChI InChI=1S/C30H33F3N2O3S/c31-30(32,33)23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-38-28-17-15-25(35-27(28)16-18-29(36)37)21-39-26-10-7-9-24(34)20-26/h7,9-18,20H,1-6,8,19,21,34H2,(H,36,37)/b18-16+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	43	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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