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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 526.6
BDBM50084774

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


(GUINEA PIG)
BDBM50084774
PNG
((2-{1-[7-(Quinolin-2-ylmethoxy)-naphthalene-2-sulf...)
Show SMILES CC(NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccccc1CC(O)=O
Show InChI InChI=1S/C30H26N2O5S/c1-20(28-8-4-2-7-23(28)18-30(33)34)32-38(35,36)27-15-12-21-11-14-26(16-24(21)17-27)37-19-25-13-10-22-6-3-5-9-29(22)31-25/h2-17,20,32H,18-19H2,1H3,(H,33,34)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
8.40n/an/an/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]-LTD4 binding assay in guinea pig lung membranes


J Med Chem 43: 392-400 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5DVX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50084774
PNG
((2-{1-[7-(Quinolin-2-ylmethoxy)-naphthalene-2-sulf...)
Show SMILES CC(NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1)c1ccccc1CC(O)=O
Show InChI InChI=1S/C30H26N2O5S/c1-20(28-8-4-2-7-23(28)18-30(33)34)32-38(35,36)27-15-12-21-11-14-26(16-24(21)17-27)37-19-25-13-10-22-6-3-5-9-29(22)31-25/h2-17,20,32H,18-19H2,1H3,(H,33,34)
PDB

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AffyNet 
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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.40n/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