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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.3
BDBM50064066

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)
BDBM50064066
PNG
(2-[3-(Benzothiazol-2-ylmethoxy)-phenyl]-6-bromo-4-...)
Show SMILES OC(=O)c1cc(Br)cc2c1oc(cc2=O)-c1cccc(OCc2nc3ccccc3s2)c1
Show InChI InChI=1S/C24H14BrNO5S/c25-14-9-16-19(27)11-20(31-23(16)17(10-14)24(28)29)13-4-3-5-15(8-13)30-12-22-26-18-6-1-2-7-21(18)32-22/h1-11H,12H2,(H,28,29)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/a 79n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
In vitro affinity for CysLT1 receptors on guinea pig lung membranes, measured by displacement of [3H]-LTD4.


J Med Chem 41: 1428-38 (1998)


Article DOI: 10.1021/jm970179x
BindingDB Entry DOI: 10.7270/Q21835MZ
More data for this
Ligand-Target Pair