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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 617.7
BDBM50469823

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)
BDBM50469823
PNG
(CHEMBL131173)
Show SMILES CCCCCCC(C)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C35H43N3O5S/c1-6-7-8-9-12-24(2)22-36-34(39)27-17-18-31-30(20-27)29(23-38(31)4)19-26-15-16-28(21-32(26)43-5)35(40)37-44(41,42)33-14-11-10-13-25(33)3/h10-11,13-18,20-21,23-24H,6-9,12,19,22H2,1-5H3,(H,36,39)(H,37,40)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
7.90n/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