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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 558.1
BDBM50283940

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)
BDBM50283940
PNG
((S)-3-[(S)-1-{3-[(E)-2-(7-Chloro-quinolin-2-yl)-vi...)
Show SMILES CCC(=O)c1ccccc1CC[C@H](SC[C@@H](C)C(O)=O)c1cccc(C=Cc2ccc3ccc(Cl)cc3n2)c1 |w:25.25|
Show InChI InChI=1S/C33H32ClNO3S/c1-3-31(36)29-10-5-4-8-24(29)14-18-32(39-21-22(2)33(37)38)26-9-6-7-23(19-26)11-16-28-17-13-25-12-15-27(34)20-30(25)35-28/h4-13,15-17,19-20,22,32H,3,14,18,21H2,1-2H3,(H,37,38)/t22-,32+/m1/s1
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against binding of [3H]-LTD4 to Cysteinyl leukotriene D4 receptor in guinea pig lung membranes


Bioorg Med Chem Lett 4: 463-468 (1994)


Article DOI: 10.1016/0960-894X(94)80017-0
BindingDB Entry DOI: 10.7270/Q2M908N4
More data for this
Ligand-Target Pair