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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.4
BDBM50084803

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)
BDBM50084803
PNG
(2-[4-(Quinolin-2-ylmethoxy)-phenyl]-N-[4-(1H-tetra...)
Show SMILES O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)NCc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C26H22N6O2/c33-25(27-16-19-5-9-21(10-6-19)26-29-31-32-30-26)15-18-7-13-23(14-8-18)34-17-22-12-11-20-3-1-2-4-24(20)28-22/h1-14H,15-17H2,(H,27,33)(H,29,30,31,32)
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PC cid
PC sid
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PubMed
250n/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))
BDBM50084803
PNG
(2-[4-(Quinolin-2-ylmethoxy)-phenyl]-N-[4-(1H-tetra...)
Show SMILES O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)NCc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C26H22N6O2/c33-25(27-16-19-5-9-21(10-6-19)26-29-31-32-30-26)15-18-7-13-23(14-8-18)34-17-22-12-11-20-3-1-2-4-24(20)28-22/h1-14H,15-17H2,(H,27,33)(H,29,30,31,32)
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PC sid
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Article
PubMed
n/an/a 38n/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