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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 480.4
BDBM50323895

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit 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))
BDBM50323895
PNG
(4-oxo-8-(4-(quinolin-2-ylmethoxy)benzylcarbamoyl)-...)
Show SMILES OC(=O)c1cc(=O)c2cccc(C(=O)NCc3ccc(OCc4ccc5ccccc5n4)cc3)c2o1
Show InChI InChI=1S/C28H20N2O6/c31-24-14-25(28(33)34)36-26-21(24)5-3-6-22(26)27(32)29-15-17-8-12-20(13-9-17)35-16-19-11-10-18-4-1-2-7-23(18)30-19/h1-14H,15-16H2,(H,29,32)(H,33,34)
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 168n/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