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BDBM50042161 3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-trifluoromethyl-phenyl)-octyloxy]-pyridin-2-yl}-acrylic acid::CHEMBL112737

SMILES: Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccc(cc2)C(F)(F)F)c(C=CC(O)=O)n1

InChI Key: InChIKey=LVKUKZDXLRSTSX-UHFFFAOYSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50042161   
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))		BDBM50042161
PNG
(3-{6-(3-Amino-benzenesulfinylmethyl)-3-[8-(4-trifl...)
Show SMILES Nc1cccc(c1)S(=O)Cc1ccc(OCCCCCCCCc2ccc(cc2)C(F)(F)F)c(C=CC(O)=O)n1 |w:35.37|
Show InChI InChI=1S/C30H33F3N2O4S/c31-30(32,33)23-13-11-22(12-14-23)8-5-3-1-2-4-6-19-39-28-17-15-25(35-27(28)16-18-29(36)37)21-40(38)26-10-7-9-24(34)20-26/h7,9-18,20H,1-6,8,19,21,34H2,(H,36,37)
PDB

UniProtKB/SwissProt

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CHEMBL
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PC sid
UniChem

Similars
PubMed
 14n/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