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BDBM50042156 3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-[3-(oxalyl-amino)-phenylsulfanylmethyl]-pyridin-2-yl}-acrylic acid::CHEMBL334267

SMILES: COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(O)=O)c3)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=DNCMVHMLYHMBEJ-HTXNQAPBSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042156   
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))		BDBM50042156
PNG
(3-{3-[8-(4-Methoxy-phenyl)-octyloxy]-6-[3-(oxalyl-...)
Show SMILES COc1ccc(CCCCCCCCOc2ccc(CSc3cccc(NC(=O)C(O)=O)c3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C32H36N2O7S/c1-40-26-15-12-23(13-16-26)9-6-4-2-3-5-7-20-41-29-18-14-25(33-28(29)17-19-30(35)36)22-42-27-11-8-10-24(21-27)34-31(37)32(38)39/h8,10-19,21H,2-7,9,20,22H2,1H3,(H,34,37)(H,35,36)(H,38,39)/b19-17+
PDB

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PC cid
PC sid
UniChem

Similars
PubMed
 72n/an/an/an/an/an/an/an/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