BDBM50042169 3-{6-Benzenesulfinylmethyl-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid::CHEMBL112804

SMILES: COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3ccccc3)nc2C=CC(O)=O)cc1

InChI Key: InChIKey=TVIQQYHCTWKNSI-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 = 50042169   

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))	BDBM50042169 (3-{6-Benzenesulfinylmethyl-3-[8-(4-methoxy-phenyl)...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3ccccc3)nc2C=CC(O)=O)cc1 |w:31.33| Show InChI InChI=1S/C30H35NO5S/c1-35-26-17-14-24(15-18-26)11-7-4-2-3-5-10-22-36-29-20-16-25(31-28(29)19-21-30(32)33)23-37(34)27-12-8-6-9-13-27/h6,8-9,12-21H,2-5,7,10-11,22-23H2,1H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	37	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