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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 498.3
BDBM50064068

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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


(Homo sapiens (Human))
BDBM50064068
PNG
(6-Bromo-4-oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phe...)
Show SMILES OC(=O)c1cc(Br)cc2c1oc(cc2=O)-c1cccc(\C=C\c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C27H16BrNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+
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Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)


Article DOI: 10.1016/j.bmc.2010.06.047
BindingDB Entry DOI: 10.7270/Q26D5TZ0
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50064068
PNG
(6-Bromo-4-oxo-2-[3-((E)-2-quinolin-2-yl-vinyl)-phe...)
Show SMILES OC(=O)c1cc(Br)cc2c1oc(cc2=O)-c1cccc(\C=C\c2ccc3ccccc3n2)c1
Show InChI InChI=1S/C27H16BrNO4/c28-19-13-21-24(30)15-25(33-26(21)22(14-19)27(31)32)18-6-3-4-16(12-18)8-10-20-11-9-17-5-1-2-7-23(17)29-20/h1-15H,(H,31,32)/b10-8+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 17n/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