Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042175'   

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))	BDBM50042175 (3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-fluor...) Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccc(F)cc2)c(C=CC(O)=O)n1 |w:32.34| Show InChI InChI=1S/C29H33FN2O4S/c30-23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-36-28-17-15-25(32-27(28)16-18-29(33)34)21-37(35)26-10-7-9-24(31)20-26/h7,9-18,20H,1-6,8,19,21,31H2,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	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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