BDBM50042166 3-{6-(3-Benzenesulfonylamino-benzenesulfinylmethyl)-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid::CHEMBL321261

SMILES: COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2C=CC(O)=O)cc1

InChI Key: InChIKey=VLBPPLSIRHERBB-UHFFFAOYSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042166   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50042166 (3-{6-(3-Benzenesulfonylamino-benzenesulfinylmethyl...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(NS(=O)(=O)c4ccccc4)c3)nc2C=CC(O)=O)cc1 |w:41.44| Show InChI InChI=1S/C36H40N2O7S2/c1-44-31-20-17-28(18-21-31)12-7-4-2-3-5-10-25-45-35-23-19-30(37-34(35)22-24-36(39)40)27-46(41)32-14-11-13-29(26-32)38-47(42,43)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)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	147	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