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BDBM50037378 3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-ylmethanesulfonylmethyl}-benzoic acid::CHEMBL325643

SMILES: COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=OOMPLEOVXWYGSB-HTXNQAPBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037378   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Leukotriene B4 receptor


(Homo sapiens (Human))		BDBM50037378
PNG
(3-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)(=O)Cc3cccc(c3)C(O)=O)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C32H37NO8S/c1-40-28-15-12-24(13-16-28)9-6-4-2-3-5-7-20-41-30-18-14-27(33-29(30)17-19-31(34)35)23-42(38,39)22-25-10-8-11-26(21-25)32(36)37/h8,10-19,21H,2-7,9,20,22-23H2,1H3,(H,34,35)(H,36,37)/b19-17+
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Similars
PubMed
 53n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Binding affinity at leukotriene B4 receptor on intact human PMNs by displacement of [3H]-LTB4.

J Med Chem 37: 3327-36 (1994)


BindingDB Entry DOI: 10.7270/Q2HT2NC3
More data for this
Ligand-Target Pair