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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 408.4
BDBM50015549

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)
BDBM50015549
PNG
(4-(6-Cyclopentyloxycarbonylamino-indol-1-ylmethyl)...)
Show SMILES COc1cc(ccc1Cn1ccc2ccc(NC(=O)OC3CCCC3)cc12)C(O)=O
Show InChI InChI=1S/C23H24N2O5/c1-29-21-12-16(22(26)27)6-7-17(21)14-25-11-10-15-8-9-18(13-20(15)25)24-23(28)30-19-4-2-3-5-19/h6-13,19H,2-5,14H2,1H3,(H,24,28)(H,26,27)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
160n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 33: 1781-90 (1990)


BindingDB Entry DOI: 10.7270/Q2862FDP
More data for this
Ligand-Target Pair