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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 490.5
BDBM50084785

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)
BDBM50084785
PNG
((4-{2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES CC(C(=O)Nc1ccc(CC(O)=O)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C31H26N2O4/c1-20(31(36)33-26-12-6-21(7-13-26)16-30(34)35)23-8-9-25-18-28(15-11-24(25)17-23)37-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,36)(H,34,35)
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PC sid
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PubMed
36n/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))
BDBM50084785
PNG
((4-{2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-p...)
Show SMILES CC(C(=O)Nc1ccc(CC(O)=O)cc1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C31H26N2O4/c1-20(31(36)33-26-12-6-21(7-13-26)16-30(34)35)23-8-9-25-18-28(15-11-24(25)17-23)37-19-27-14-10-22-4-2-3-5-29(22)32-27/h2-15,17-18,20H,16,19H2,1H3,(H,33,36)(H,34,35)
PDB

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KEGG

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KEGG
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/a 30n/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