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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 514.5
BDBM50084781

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)
BDBM50084781
PNG
(2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-N-[4-...)
Show SMILES CC(C(=O)NCc1ccc(cc1)-c1nnn[nH]1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C31H26N6O2/c1-20(31(38)32-18-21-6-8-23(9-7-21)30-34-36-37-35-30)24-10-11-26-17-28(15-13-25(26)16-24)39-19-27-14-12-22-4-2-3-5-29(22)33-27/h2-17,20H,18-19H2,1H3,(H,32,38)(H,34,35,36,37)
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PubMed
9.20n/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))
BDBM50084781
PNG
(2-[6-(Quinolin-2-ylmethoxy)-naphthalen-2-yl]-N-[4-...)
Show SMILES CC(C(=O)NCc1ccc(cc1)-c1nnn[nH]1)c1ccc2cc(OCc3ccc4ccccc4n3)ccc2c1
Show InChI InChI=1S/C31H26N6O2/c1-20(31(38)32-18-21-6-8-23(9-7-21)30-34-36-37-35-30)24-10-11-26-17-28(15-13-25(26)16-24)39-19-27-14-12-22-4-2-3-5-29(22)33-27/h2-17,20H,18-19H2,1H3,(H,32,38)(H,34,35,36,37)
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 9.20n/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