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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 529.0
BDBM50280711

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)
BDBM50280711
PNG
(3-{1-[3-(7-Chloro-quinolin-2-ylmethoxy)-phenyl]-5-...)
Show SMILES CC(CCC(SCCC(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)CC(=O)N(C)C
Show InChI InChI=1S/C28H33ClN2O4S/c1-19(15-27(32)31(2)3)7-12-26(36-14-13-28(33)34)21-5-4-6-24(16-21)35-18-23-11-9-20-8-10-22(29)17-25(20)30-23/h4-6,8-11,16-17,19,26H,7,12-15,18H2,1-3H3,(H,33,34)
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 8.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined


Bioorg Med Chem Lett 2: 1141-1146 (1992)


Article DOI: 10.1016/S0960-894X(00)80635-6
BindingDB Entry DOI: 10.7270/Q2D21XJR
More data for this
Ligand-Target Pair