BDBM50042165 3-[6-(3-Amino-benzenesulfinylmethyl)-3-(8-phenyl-octyloxy)-pyridin-2-yl]-acrylic acid::CHEMBL112018

SMILES: Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccccc2)c(C=CC(O)=O)n1

InChI Key: InChIKey=MIQSQBSTRUREAG-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 = 50042165   

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))	BDBM50042165 (3-[6-(3-Amino-benzenesulfinylmethyl)-3-(8-phenyl-o...) Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccccc2)c(C=CC(O)=O)n1 |w:31.33| Show InChI InChI=1S/C29H34N2O4S/c30-24-14-10-15-26(21-24)36(34)22-25-16-18-28(27(31-25)17-19-29(32)33)35-20-9-4-2-1-3-6-11-23-12-7-5-8-13-23/h5,7-8,10,12-19,21H,1-4,6,9,11,20,22,30H2,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	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