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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 419.4
BDBM50064073

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


(GUINEA PIG)
BDBM50064073
PNG
(4-Oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phenyl]-4H-...)
Show SMILES OC(=O)c1ccc2c(c1)oc(cc2=O)-c1cccc(\C=C\c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C27H17NO4/c29-24-16-25(32-26-15-20(27(30)31)10-13-22(24)26)19-6-3-4-17(14-19)8-11-21-12-9-18-5-1-2-7-23(18)28-21/h1-16H,(H,30,31)/b11-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.73E+3n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by displacement of [3H]-LTD4.


J Med Chem 41: 1428-38 (1998)


Article DOI: 10.1021/jm970179x
BindingDB Entry DOI: 10.7270/Q21835MZ
More data for this
Ligand-Target Pair