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BDBM50001647 6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-yloxy)-2-methyl-hexanoic acid::CHEMBL137341

SMILES: CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O

InChI Key: InChIKey=HWSWZESMKTVEGZ-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 = 50001647   
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)
BDBM50001647
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)
UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 6.60n/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 in the human polymorphonuclear leukocytes.


J Med Chem 35: 4315-24 (1992)


Article DOI: 10.1021/jm00101a008
BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001647
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 120n/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)


Article DOI: 10.1021/jm00101a008
BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50001647
PNG
(6-(4-Benzo[1,3]dioxol-5-yl-6-phenyl-pyridin-2-ylox...)
Show SMILES CC(CCCCOc1cc(cc(n1)-c1ccccc1)-c1ccc2OCOc2c1)C(O)=O
Show InChI InChI=1S/C25H25NO5/c1-17(25(27)28)7-5-6-12-29-24-15-20(13-21(26-24)18-8-3-2-4-9-18)19-10-11-22-23(14-19)31-16-30-22/h2-4,8-11,13-15,17H,5-7,12,16H2,1H3,(H,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.20n/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 in the guinea pig spleen membranes.


J Med Chem 35: 4315-24 (1992)


Article DOI: 10.1021/jm00101a008
BindingDB Entry DOI: 10.7270/Q2QR4W2W
More data for this
Ligand-Target Pair