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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
BDBM50469792

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)
BDBM50469792
PNG
(CHEMBL130948)
Show SMILES CCCc1cn(Cc2ccc(cc2OC)C(O)=O)c2cc(ccc12)C(=O)NCC(C)C
Show InChI InChI=1S/C25H30N2O4/c1-5-6-19-14-27(15-20-8-7-18(25(29)30)12-23(20)31-4)22-11-17(9-10-21(19)22)24(28)26-13-16(2)3/h7-12,14,16H,5-6,13,15H2,1-4H3,(H,26,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.51E+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