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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 630.6
BDBM50285687

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))
BDBM50285687
PNG
((1-{(R)-1-[3-(2,3-Dichloro-thieno[3,2-b]pyridin-5-...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(COc2ccc3sc(Cl)c(Cl)c3n2)c1
Show InChI InChI=1S/C32H33Cl2NO4S2/c1-31(2,38)23-9-4-3-7-21(23)10-11-24(40-19-32(14-15-32)17-27(36)37)22-8-5-6-20(16-22)18-39-26-13-12-25-29(35-26)28(33)30(34)41-25/h3-9,12-13,16,24,38H,10-11,14-15,17-19H2,1-2H3,(H,36,37)/t24-/m1/s1
PDB

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PC cid
PC sid
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Article
n/an/a>150n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of binding of [ H]-LTD4 to DMSO differentiated U937 cell membranes


Bioorg Med Chem Lett 5: 2551-2556 (1995)


Article DOI: 10.1016/0960-894X(95)00448-3
BindingDB Entry DOI: 10.7270/Q2W37W8Q
More data for this
Ligand-Target Pair