Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Leukotriene B4 receptor 1' and Ligand = 'BDBM50042177'   

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))	BDBM50042177 (3-{6-(3-Dimethylamino-benzenesulfinylmethyl)-3-[8-...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(c3)N(C)C)nc2C=CC(O)=O)cc1 |w:34.36| Show InChI InChI=1S/C32H40N2O5S/c1-34(2)27-12-10-13-29(23-27)40(37)24-26-16-20-31(30(33-26)19-21-32(35)36)39-22-9-7-5-4-6-8-11-25-14-17-28(38-3)18-15-25/h10,12-21,23H,4-9,11,22,24H2,1-3H3,(H,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	245	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
					More data for this Ligand-Target Pair