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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 517.1
BDBM50280690

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits 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)
BDBM50280690
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-ethyl]-phenyl}-(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H29ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-5,7-9,11,16-17,26H,6,10,12-15H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
n/an/a 26n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against [3H]-Leukotriene D4 binding to guinea-pig lung membranes was determined (Experiment 1)


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
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50280690
PNG
(3-[{3-[2-(7-Chloro-quinolin-2-yl)-ethyl]-phenyl}-(...)
Show SMILES CN(C)C(=O)CCSC(SCCC(O)=O)c1cccc(CCc2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C26H29ClN2O3S2/c1-29(2)24(30)12-14-33-26(34-15-13-25(31)32)20-5-3-4-18(16-20)6-10-22-11-8-19-7-9-21(27)17-23(19)28-22/h3-5,7-9,11,16-17,26H,6,10,12-15H2,1-2H3,(H,31,32)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 36n/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; experiment 1


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