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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 499.6
BDBM50296107

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)
BDBM50296107
PNG
(3-(5-(3-(2-(4-tert-butylthiazol-2-yl)vinyl)benzyl)...)
Show SMILES CC(C)(C)c1csc(\C=C\c2cccc(Cn3c4CCN(CCC(O)=O)Cc4c4ccccc34)c2)n1
Show InChI InChI=1S/C30H33N3O2S/c1-30(2,3)27-20-36-28(31-27)12-11-21-7-6-8-22(17-21)18-33-25-10-5-4-9-23(25)24-19-32(15-13-26(24)33)16-14-29(34)35/h4-12,17,20H,13-16,18-19H2,1-3H3,(H,34,35)/b12-11+
PDB

UniProtKB/SwissProt

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 37n/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