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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 561.7
BDBM50284902

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)
BDBM50284902
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CCC2)c1
Show InChI InChI=1S/C33H39NO3S2/c1-32(2,37)27-12-4-3-8-24(27)14-15-29(39-22-33(17-18-33)20-31(35)36)26-11-5-7-23(19-26)13-16-30-34-28(21-38-30)25-9-6-10-25/h3-5,7-8,11-13,16,19,21,25,29,37H,6,9-10,14-15,17-18,20,22H2,1-2H3,(H,35,36)/b16-13+/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50284902
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclobutyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CCC2)c1
Show InChI InChI=1S/C33H39NO3S2/c1-32(2,37)27-12-4-3-8-24(27)14-15-29(39-22-33(17-18-33)20-31(35)36)26-11-5-7-23(19-26)13-16-30-34-28(21-38-30)25-9-6-10-25/h3-5,7-8,11-13,16,19,21,25,29,37H,6,9-10,14-15,17-18,20,22H2,1-2H3,(H,35,36)/b16-13+/t29-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 0.600n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]LTD4 binding on guinea-pig lung membranes


Bioorg Med Chem Lett 5: 1615-1620 (1995)


Article DOI: 10.1016/0960-894X(95)00265-U
BindingDB Entry DOI: 10.7270/Q2NV9J6V
More data for this
Ligand-Target Pair