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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.5
BDBM50084780

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)
BDBM50084780
PNG
(4-(4-{2-[4-(Quinolin-2-ylmethoxy)-phenyl]-acetylam...)
Show SMILES OC(=O)CCCc1ccc(NC(=O)Cc2ccc(OCc3ccc4ccccc4n3)cc2)cc1
Show InChI InChI=1S/C28H26N2O4/c31-27(30-23-13-8-20(9-14-23)4-3-7-28(32)33)18-21-10-16-25(17-11-21)34-19-24-15-12-22-5-1-2-6-26(22)29-24/h1-2,5-6,8-17H,3-4,7,18-19H2,(H,30,31)(H,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
7.30n/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