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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 504.4
BDBM50084793

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


(GUINEA PIG)
BDBM50084793
PNG
(4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromene-8-carboxyli...)
Show SMILES O=C(NCc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc2c1oc(cc2=O)-c1nnn[nH]1
Show InChI InChI=1S/C28H20N6O4/c35-24-14-25(27-31-33-34-32-27)38-26-21(24)5-3-6-22(26)28(36)29-15-17-8-12-20(13-9-17)37-16-19-11-10-18-4-1-2-7-23(18)30-19/h1-14H,15-16H2,(H,29,36)(H,31,32,33,34)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem
PubMed
86n/an/an/an/an/an/an/an/a



Laboratorios Menarini

Curated by ChEMBL


Assay Description
In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]-LTD4 binding assay in guinea pig lung membranes


J Med Chem 43: 392-400 (2000)


BindingDB Entry DOI: 10.7270/Q2DJ5DVX
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50084793
PNG
(4-Oxo-2-(1H-tetrazol-5-yl)-4H-chromene-8-carboxyli...)
Show SMILES O=C(NCc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc2c1oc(cc2=O)-c1nnn[nH]1
Show InChI InChI=1S/C28H20N6O4/c35-24-14-25(27-31-33-34-32-27)38-26-21(24)5-3-6-22(26)28(36)29-15-17-8-12-20(13-9-17)37-16-19-11-10-18-4-1-2-7-23(18)30-19/h1-14H,15-16H2,(H,29,36)(H,31,32,33,34)
PDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 86n/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