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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 481.5
BDBM50057246

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   
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
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50057246
PNG
(4-Butoxy-3-{(E)-3-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES CCCCOc1ccc(cc1C(=O)\C=C\c1cccc(OCc2ccc3ccccc3n2)c1)C(O)=O
Show InChI InChI=1S/C30H27NO5/c1-2-3-17-35-29-16-13-23(30(33)34)19-26(29)28(32)15-11-21-7-6-9-25(18-21)36-20-24-14-12-22-8-4-5-10-27(22)31-24/h4-16,18-19H,2-3,17,20H2,1H3,(H,33,34)/b15-11+
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Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)


Article DOI: 10.1016/j.bmc.2010.06.047
BindingDB Entry DOI: 10.7270/Q26D5TZ0
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1/2


(Homo sapiens (Human))
BDBM50057246
PNG
(4-Butoxy-3-{(E)-3-[3-(quinolin-2-ylmethoxy)-phenyl...)
Show SMILES CCCCOc1ccc(cc1C(=O)\C=C\c1cccc(OCc2ccc3ccccc3n2)c1)C(O)=O
Show InChI InChI=1S/C30H27NO5/c1-2-3-17-35-29-16-13-23(30(33)34)19-26(29)28(32)15-11-21-7-6-9-25(18-21)36-20-24-14-12-22-8-4-5-10-27(22)31-24/h4-16,18-19H,2-3,17,20H2,1H3,(H,33,34)/b15-11+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


J Med Chem 40: 1075-89 (1997)


Article DOI: 10.1021/jm960628d
BindingDB Entry DOI: 10.7270/Q25141XJ
More data for this
Ligand-Target Pair