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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 603.7
BDBM50469803

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)
BDBM50469803
PNG
(CHEMBL413742)
Show SMILES CCCCC(CC)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C34H41N3O5S/c1-6-8-12-24(7-2)21-35-33(38)26-16-17-30-29(19-26)28(22-37(30)4)18-25-14-15-27(20-31(25)42-5)34(39)36-43(40,41)32-13-10-9-11-23(32)3/h9-11,13-17,19-20,22,24H,6-8,12,18,21H2,1-5H3,(H,35,38)(H,36,39)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.30n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Binding affinity to the leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes assayed using [3H]LTD4 as radioligand


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