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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 528.0
BDBM50296108

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)
BDBM50296108
PNG
(3-(5-(3-(2-(5-chlorobenzo[d]thiazol-2-yl)vinyl)ben...)
Show SMILES OC(=O)CCN1CCc2c(C1)c1ccccc1n2Cc1cccc(\C=C\c2nc3cc(Cl)ccc3s2)c1
Show InChI InChI=1S/C30H26ClN3O2S/c31-22-9-10-28-25(17-22)32-29(37-28)11-8-20-4-3-5-21(16-20)18-34-26-7-2-1-6-23(26)24-19-33(14-12-27(24)34)15-13-30(35)36/h1-11,16-17H,12-15,18-19H2,(H,35,36)/b11-8+
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 112n/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