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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 563.0
BDBM50280697

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)
BDBM50280697
PNG
(CHEMBL280260 | Sodium; 2-{3-(2-carboxy-phenyl)-1-[...)
Show SMILES CCC(CSC(CCc1ccccc1C(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C31H30ClNO5S/c1-2-20(30(34)35)19-39-29(15-12-21-6-3-4-9-27(21)31(36)37)23-7-5-8-26(16-23)38-18-25-14-11-22-10-13-24(32)17-28(22)33-25/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H,34,35)(H,36,37)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2n/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 2)


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)
BDBM50280697
PNG
(CHEMBL280260 | Sodium; 2-{3-(2-carboxy-phenyl)-1-[...)
Show SMILES CCC(CSC(CCc1ccccc1C(O)=O)c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C([O-])=O
Show InChI InChI=1S/C31H30ClNO5S/c1-2-20(30(34)35)19-39-29(15-12-21-6-3-4-9-27(21)31(36)37)23-7-5-8-26(16-23)38-18-25-14-11-22-10-13-24(32)17-28(22)33-25/h3-11,13-14,16-17,20,29H,2,12,15,18-19H2,1H3,(H,34,35)(H,36,37)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 2n/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