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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 469.5
BDBM50084782

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

Found 1 hit 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)
BDBM50084782
PNG
(2-[4-(4-Phenyl-butoxy)-phenyl]-N-{4-[3-(1H-tetrazo...)
Show SMILES O=C(Cc1ccc(OCCCCc2ccccc2)cc1)Nc1ccc(CCCc2nnn[nH]2)cc1
Show InChI InChI=1S/C28H31N5O2/c34-28(29-25-16-12-23(13-17-25)10-6-11-27-30-32-33-31-27)21-24-14-18-26(19-15-24)35-20-5-4-9-22-7-2-1-3-8-22/h1-3,7-8,12-19H,4-6,9-11,20-21H2,(H,29,34)(H,30,31,32,33)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
2.59E+3n/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