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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 615.6
BDBM50296089

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)
BDBM50296089
PNG
(2-(2-(5-(3-(2-(6,7-difluoroquinolin-2-yl)vinyl)ben...)
Show SMILES OC(=O)c1ccccc1OCCN1CCc2c(C1)c1ccccc1n2Cc1cccc(\C=C\c2ccc3cc(F)c(F)cc3n2)c1
Show InChI InChI=1S/C38H31F2N3O3/c39-32-21-27-13-15-28(41-34(27)22-33(32)40)14-12-25-6-5-7-26(20-25)23-43-35-10-3-1-8-29(35)31-24-42(17-16-36(31)43)18-19-46-37-11-4-2-9-30(37)38(44)45/h1-15,20-22H,16-19,23-24H2,(H,44,45)/b14-12+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.910n/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