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BDBM50053351 (E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-(4-methoxy-phenyl)-butoxy]-pyridin-2-yl}-acrylic acid::CHEMBL337995

SMILES: COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1

InChI Key: InChIKey=CNCBHMFRNJAUKC-FYWRMAATSA-N

Data: 1 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50053351   
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)
BDBM50053351
PNG
((E)-3-{6-(2,6-Dichloro-phenylsulfanylmethyl)-3-[4-...)
Show SMILES COc1ccc(CCCCOc2ccc(CSc3c(Cl)cccc3Cl)nc2\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H25Cl2NO4S/c1-32-20-11-8-18(9-12-20)5-2-3-16-33-24-14-10-19(29-23(24)13-15-25(30)31)17-34-26-21(27)6-4-7-22(26)28/h4,6-15H,2-3,5,16-17H2,1H3,(H,30,31)/b15-13+
UniProtKB/SwissProt

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PC sid
UniChem

Similars

Article
PubMed
1.5n/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