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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 532.5
BDBM50017199

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)
BDBM50017199
PNG
(6-Acetyl-7-[3-(4-acetyl-3-hydroxy-2-propyl-phenoxy...)
Show SMILES CCCc1c(O)c(ccc1OCc1cccc(COc2cc3OC(CCc3cc2C(C)=O)C(O)=O)c1)C(C)=O
Show InChI InChI=1S/C31H32O8/c1-4-6-24-26(12-10-23(18(2)32)30(24)34)37-16-20-7-5-8-21(13-20)17-38-29-15-28-22(14-25(29)19(3)33)9-11-27(39-28)31(35)36/h5,7-8,10,12-15,27,34H,4,6,9,11,16-17H2,1-3H3,(H,35,36)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.00E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibitory activity of compound to block binding of [3H]-leukotriene D4 to Cysteinyl leukotriene D4 receptor sites in homogenized guinea pig lung


J Med Chem 32: 1842-60 (1989)


BindingDB Entry DOI: 10.7270/Q28W3C8B
More data for this
Ligand-Target Pair