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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 629.7
BDBM50084791

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)
BDBM50084791
PNG
(7-(Quinolin-2-ylmethoxy)-naphthalene-2-carboxylic ...)
Show SMILES Cc1ccccc1S(=O)(=O)NC(=O)c1ccc(CCNC(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
Show InChI InChI=1S/C37H31N3O5S/c1-25-6-2-5-9-35(25)46(43,44)40-37(42)29-12-10-26(11-13-29)20-21-38-36(41)30-15-14-27-17-19-33(23-31(27)22-30)45-24-32-18-16-28-7-3-4-8-34(28)39-32/h2-19,22-23H,20-21,24H2,1H3,(H,38,41)(H,40,42)
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
15n/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