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BDBM50001668 6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-yloxy)-hexanoic acid::CHEMBL137759

SMILES: OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1

InChI Key: InChIKey=WCOUEWUMTULIBL-UHFFFAOYSA-N

Data: 3 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50001668   
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))
BDBM50001668
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23NO5/c26-24(27)9-5-2-6-12-28-23-15-19(13-20(25-23)17-7-3-1-4-8-17)18-10-11-21-22(14-18)30-16-29-21/h1,3-4,7-8,10-11,13-15H,2,5-6,9,12,16H2,(H,26,27)
PDB

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PC sid
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PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001668
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23NO5/c26-24(27)9-5-2-6-12-28-23-15-19(13-20(25-23)17-7-3-1-4-8-17)18-10-11-21-22(14-18)30-16-29-21/h1,3-4,7-8,10-11,13-15H,2,5-6,9,12,16H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 6n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTB4 binding to Leukotriene B4 receptor of human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
Leukotriene B4 receptor


(Homo sapiens (Human))
BDBM50001668
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES OC(=O)CCCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H23NO5/c26-24(27)9-5-2-6-12-28-23-15-19(13-20(25-23)17-7-3-1-4-8-17)18-10-11-21-22(14-18)30-16-29-21/h1,3-4,7-8,10-11,13-15H,2,5-6,9,12,16H2,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 1n/an/an/an/an/an/a



Centre de Recherche de Vitry-Alfortville

Curated by ChEMBL


Assay Description
Inhibition of LTB4-induced elastase release in human polymorphonuclear leukocytes


J Med Chem 35: 4315-24 (1992)


BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair