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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 409.4
BDBM50057232

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))
BDBM50057232
PNG
(2-(3-(4-(quinolin-2-ylmethoxy)phenyl)acryloyl)benz...)
Show SMILES OC(=O)c1ccccc1C(=O)\C=C\c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H19NO4/c28-25(22-6-2-3-7-23(22)26(29)30)16-11-18-9-14-21(15-10-18)31-17-20-13-12-19-5-1-4-8-24(19)27-20/h1-16H,17H2,(H,29,30)/b16-11+
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Similars

Article
PubMed
n/an/a 143n/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))
BDBM50057232
PNG
(2-(3-(4-(quinolin-2-ylmethoxy)phenyl)acryloyl)benz...)
Show SMILES OC(=O)c1ccccc1C(=O)\C=C\c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C26H19NO4/c28-25(22-6-2-3-7-23(22)26(29)30)16-11-18-9-14-21(15-10-18)31-17-20-13-12-19-5-1-4-8-24(19)27-20/h1-16H,17H2,(H,29,30)/b16-11+
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 143n/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