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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 641.4
BDBM50064076

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))
BDBM50064076
PNG
(6-bromo-4-oxo-N-(phenylsulfonyl)-2-(4-(quinolin-2-...)
Show SMILES Brc1cc(C(=O)NS(=O)(=O)c2ccccc2)c2oc(cc(=O)c2c1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C32H21BrN2O6S/c33-22-16-26-29(36)18-30(41-31(26)27(17-22)32(37)35-42(38,39)25-7-2-1-3-8-25)21-11-14-24(15-12-21)40-19-23-13-10-20-6-4-5-9-28(20)34-23/h1-18H,19H2,(H,35,37)
PDB

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 382n/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)
BDBM50064076
PNG
(6-bromo-4-oxo-N-(phenylsulfonyl)-2-(4-(quinolin-2-...)
Show SMILES Brc1cc(C(=O)NS(=O)(=O)c2ccccc2)c2oc(cc(=O)c2c1)-c1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C32H21BrN2O6S/c33-22-16-26-29(36)18-30(41-31(26)27(17-22)32(37)35-42(38,39)25-7-2-1-3-8-25)21-11-14-24(15-12-21)40-19-23-13-10-20-6-4-5-9-28(20)34-23/h1-18H,19H2,(H,35,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 382n/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