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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'LTB4R' and Ligand = 'BDBM50042143'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
LTB4R


(Homo sapiens (Human))
BDBM50042143
PNG
(3-[7-(1-Hydroxy-nonyl)-quinolin-2-ylmethanesulfiny...)
Show SMILES CCCCCCCCC(O)c1ccc2ccc(CS(=O)c3cccc(c3)C(O)=O)nc2c1
Show InChI InChI=1S/C26H31NO4S/c1-2-3-4-5-6-7-11-25(28)20-13-12-19-14-15-22(27-24(19)17-20)18-32(31)23-10-8-9-21(16-23)26(29)30/h8-10,12-17,25,28H,2-7,11,18H2,1H3,(H,29,30)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
140n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]- LTB4 binding on human whole cells


J Med Chem 36: 3308-20 (1993)


BindingDB Entry DOI: 10.7270/Q21R6R4P
More data for this
Ligand-Target Pair