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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 422.5
BDBM50469825

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)
BDBM50469825
PNG
(CHEMBL339897)
Show SMILES CCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(cc3OC)C(O)=O)c2c1
Show InChI InChI=1S/C25H30N2O4/c1-5-17(6-2)13-26-24(28)18-9-10-21-16(3)14-27(22(21)11-18)15-20-8-7-19(25(29)30)12-23(20)31-4/h7-12,14,17H,5-6,13,15H2,1-4H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes using [3H]LTD4 as radio ligand


J Med Chem 36: 394-409 (1993)


Article DOI: 10.1021/jm00055a011
BindingDB Entry DOI: 10.7270/Q2FX7D5T
More data for this
Ligand-Target Pair