BDBM50042182 (E)-3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid::3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid::CHEMBL112338::SB-201146

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

InChI Key: InChIKey=IGDCPFCWGRZBEA-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50042182   

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))	BDBM50042182 ((E)-3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-m...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(N)c3)nc2C=CC(O)=O)cc1 |w:32.34| Show InChI InChI=1S/C30H36N2O5S/c1-36-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-37-29-18-14-25(32-28(29)17-19-30(33)34)22-38(35)27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SmithKline Beecham Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of [3H]-LTB4 binding to human neutrophils				J Med Chem 39: 3837-41 (1996) Article DOI: 10.1021/jm960248s BindingDB Entry DOI: 10.7270/Q2VX0FKP
					More data for this Ligand-Target Pair
Leukotriene B4 receptor (Homo sapiens (Human))	BDBM50042182 ((E)-3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-m...) Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)c3cccc(N)c3)nc2C=CC(O)=O)cc1 |w:32.34| Show InChI InChI=1S/C30H36N2O5S/c1-36-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-37-29-18-14-25(32-28(29)17-19-30(33)34)22-38(35)27-11-8-10-24(31)21-27/h8,10-19,21H,2-7,9,20,22,31H2,1H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.70	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