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BDBM50053356 (E)-3-{3-[4-(4-Methoxy-phenyl)-butoxy]-6-phenylsulfanylmethyl-pyridin-2-yl}-acrylic acid::CHEMBL123862

SMILES: COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=VLDLZNMMJZDXGG-BMRADRMJSA-N

Data: 1 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053356   
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
LTB4R


(HUMAN)
BDBM50053356
PNG
((E)-3-{3-[4-(4-Methoxy-phenyl)-butoxy]-6-phenylsul...)
Show SMILES COc1ccc(CCCCOc2ccc(CSc3ccccc3)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H27NO4S/c1-30-22-13-10-20(11-14-22)7-5-6-18-31-25-16-12-21(27-24(25)15-17-26(28)29)19-32-23-8-3-2-4-9-23/h2-4,8-17H,5-7,18-19H2,1H3,(H,28,29)/b17-15+
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.80n/an/an/an/an/an/an/an/a



SmithKline Beecham Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to human neutrophils


J Med Chem 39: 3837-41 (1996)


Article DOI: 10.1021/jm960248s
BindingDB Entry DOI: 10.7270/Q2VX0FKP
More data for this
Ligand-Target Pair