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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 553.0
BDBM50084786

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)
BDBM50084786
PNG
(4-(4-{2-[6-(7-Chloro-quinolin-2-ylmethoxy)-naphtha...)
Show SMILES CC(C(=O)Nc1ccc(CCCC(O)=O)cc1)c1ccc2cc(OCc3ccc4ccc(Cl)cc4n3)ccc2c1
Show InChI InChI=1S/C33H29ClN2O4/c1-21(33(39)36-28-13-5-22(6-14-28)3-2-4-32(37)38)24-7-8-26-18-30(16-11-25(26)17-24)40-20-29-15-10-23-9-12-27(34)19-31(23)35-29/h5-19,21H,2-4,20H2,1H3,(H,36,39)(H,37,38)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
190n/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