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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 479.5
BDBM50323883

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


(Homo sapiens (Human))
BDBM50323883
PNG
(3-(((3S,4R)-6-((5-fluorobenzo[d]thiazol-2-yl)metho...)
Show SMILES OC[C@@H]1[C@H](Cc2cccc(c2)C(O)=O)COc2ccc(OCc3nc4cc(F)ccc4s3)cc12 |r|
Show InChI InChI=1S/C26H22FNO5S/c27-18-4-7-24-22(10-18)28-25(34-24)14-32-19-5-6-23-20(11-19)21(12-29)17(13-33-23)9-15-2-1-3-16(8-15)26(30)31/h1-8,10-11,17,21,29H,9,12-14H2,(H,30,31)/t17-,21-/m1/s1
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Similars

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Antagonist activity at CysLT1 receptor in human dU937 cells assessed as inhibition of LTD4-induced increase of calcium level treated 30 mins before L...


Bioorg Med Chem 18: 5519-27 (2010)


Article DOI: 10.1016/j.bmc.2010.06.047
BindingDB Entry DOI: 10.7270/Q26D5TZ0
More data for this
Ligand-Target Pair