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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 651.8
BDBM50469819

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)
BDBM50469819
PNG
(CHEMBL335889)
Show SMILES CCC(CC)CNC(=O)c1ccc2n(Cc3ccccc3)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C38H41N3O5S/c1-5-27(6-2)23-39-37(42)30-18-19-34-33(21-30)32(25-41(34)24-28-13-8-7-9-14-28)20-29-16-17-31(22-35(29)46-4)38(43)40-47(44,45)36-15-11-10-12-26(36)3/h7-19,21-22,25,27H,5-6,20,23-24H2,1-4H3,(H,39,42)(H,40,43)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
1.30n/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