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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 640.5
BDBM50469815

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)
BDBM50469815
PNG
(CHEMBL336101)
Show SMILES CCC(CC)CNC(=O)c1ccc2c(C)cn(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3Br)c2c1
Show InChI InChI=1S/C31H34BrN3O5S/c1-5-21(6-2)17-33-30(36)22-13-14-25-20(3)18-35(27(25)15-22)19-24-12-11-23(16-28(24)40-4)31(37)34-41(38,39)29-10-8-7-9-26(29)32/h7-16,18,21H,5-6,17,19H2,1-4H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4n/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