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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 450.4
BDBM50084810

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)
BDBM50084810
PNG
(2-[4-(Quinolin-2-ylmethoxy)-phenyl]-N-[4-(1H-tetra...)
Show SMILES O=C(Cc1ccc(OCc2ccc3ccccc3n2)cc1)Nc1ccc(Cc2nnn[nH]2)cc1
Show InChI InChI=1S/C26H22N6O2/c33-26(28-21-10-5-18(6-11-21)15-25-29-31-32-30-25)16-19-7-13-23(14-8-19)34-17-22-12-9-20-3-1-2-4-24(20)27-22/h1-14H,15-17H2,(H,28,33)(H,29,30,31,32)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
108n/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