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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 487.0
BDBM50001288

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)
BDBM50001288
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-vinyl]-phenyl}-(...)
Show SMILES CN(C)CCSC(SCCC(O)=O)c1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C25H27ClN2O2S2/c1-28(2)13-15-32-25(31-14-12-24(29)30)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(26)17-23(19)27-22/h3-11,16-17,25H,12-15H2,1-2H3,(H,29,30)/b10-6+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 60n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]LTD4 binding to guinea pig lung membranes


J Med Chem 35: 3832-44 (1992)


BindingDB Entry DOI: 10.7270/Q2TQ625N
More data for this
Ligand-Target Pair