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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 495.0
BDBM50296102

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)
BDBM50296102
PNG
(4-(1-(3-(2-(7-chloroquinolin-2-yl)vinyl)benzyl)-2-...)
Show SMILES Cc1c(CCCC(O)=O)c2ccccc2n1Cc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C31H27ClN2O2/c1-21-27(9-5-11-31(35)36)28-8-2-3-10-30(28)34(21)20-23-7-4-6-22(18-23)12-16-26-17-14-24-13-15-25(32)19-29(24)33-26/h2-4,6-8,10,12-19H,5,9,11,20H2,1H3,(H,35,36)/b16-12+
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/an/an/an/an/an/a



Universitat de Barcelona

Curated by ChEMBL


Assay Description
Displacement of [3H]LTD4 from CYSLT1 receptor in guinea pig lung membrane


Bioorg Med Chem Lett 19: 4299-302 (2009)


Article DOI: 10.1016/j.bmcl.2009.05.094
BindingDB Entry DOI: 10.7270/Q2CN73Z1
More data for this
Ligand-Target Pair