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BDBM50037380 4-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)-octyloxy]-pyridin-2-ylmethanesulfinylmethyl}-benzoic acid::CHEMBL113146

SMILES: COc1ccc(CCCCCCCCOc2ccc(CS(=O)Cc3ccc(cc3)C(O)=O)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=UPFNOSYKEQSKFO-CZIZESTLSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50037380   
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))		BDBM50037380
PNG
(4-{6-((E)-2-Carboxy-vinyl)-5-[8-(4-methoxy-phenyl)...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CS(=O)Cc3ccc(cc3)C(O)=O)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C32H37NO7S/c1-39-28-16-11-24(12-17-28)8-6-4-2-3-5-7-21-40-30-19-15-27(33-29(30)18-20-31(34)35)23-41(38)22-25-9-13-26(14-10-25)32(36)37/h9-20H,2-8,21-23H2,1H3,(H,34,35)(H,36,37)/b20-18+
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PubMed
 161n/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