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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 454.5
BDBM50084799

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)
BDBM50084799
PNG
(4-(4-(4-(quinolin-2-ylmethoxy)benzylcarbamoyl)phen...)
Show SMILES OC(=O)CCCc1ccc(cc1)C(=O)NCc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H26N2O4/c31-27(32)7-3-4-20-8-12-23(13-9-20)28(33)29-18-21-10-16-25(17-11-21)34-19-24-15-14-22-5-1-2-6-26(22)30-24/h1-2,5-6,8-17H,3-4,7,18-19H2,(H,29,33)(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
44n/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))
BDBM50084799
PNG
(4-(4-(4-(quinolin-2-ylmethoxy)benzylcarbamoyl)phen...)
Show SMILES OC(=O)CCCc1ccc(cc1)C(=O)NCc1ccc(OCc2ccc3ccccc3n2)cc1
Show InChI InChI=1S/C28H26N2O4/c31-27(32)7-3-4-20-8-12-23(13-9-20)28(33)29-18-21-10-16-25(17-11-21)34-19-24-15-14-22-5-1-2-6-26(22)30-24/h1-2,5-6,8-17H,3-4,7,18-19H2,(H,29,33)(H,31,32)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/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