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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 449.4
BDBM50057233

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))
BDBM50057233
PNG
((E)-1-[2-Hydroxy-5-(1H-tetrazol-5-yl)-phenyl]-3-[4...)
Show SMILES Oc1ccc(cc1C(=O)C=Cc1ccc(OCc2ccc3ccccc3n2)cc1)-c1nnn[nH]1 |w:10.11|
Show InChI InChI=1S/C26H19N5O3/c32-24(22-15-19(9-14-25(22)33)26-28-30-31-29-26)13-7-17-5-11-21(12-6-17)34-16-20-10-8-18-3-1-2-4-23(18)27-20/h1-15,33H,16H2,(H,28,29,30,31)
PDB

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Similars

Article
PubMed
n/an/a 14n/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 1/2


(Homo sapiens (Human))
BDBM50057233
PNG
((E)-1-[2-Hydroxy-5-(1H-tetrazol-5-yl)-phenyl]-3-[4...)
Show SMILES Oc1ccc(cc1C(=O)C=Cc1ccc(OCc2ccc3ccccc3n2)cc1)-c1nnn[nH]1 |w:10.11|
Show InChI InChI=1S/C26H19N5O3/c32-24(22-15-19(9-14-25(22)33)26-28-30-31-29-26)13-7-17-5-11-21(12-6-17)34-16-20-10-8-18-3-1-2-4-23(18)27-20/h1-15,33H,16H2,(H,28,29,30,31)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 14n/an/an/an/an/a



Vrije Universiteit

Curated by ChEMBL


Assay Description
Displacement of [3H]LTD4 from Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


J Med Chem 40: 1075-89 (1997)


Article DOI: 10.1021/jm960628d
BindingDB Entry DOI: 10.7270/Q25141XJ
More data for this
Ligand-Target Pair