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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 547.7
BDBM50284903

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)
BDBM50284903
PNG
((1-{(R)-1-{3-[(E)-2-(5,6-Dihydro-4H-cyclopentathia...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc3CCCc3s2)c1
Show InChI InChI=1S/C32H37NO3S2/c1-31(2,36)25-10-4-3-8-23(25)14-15-27(37-21-32(17-18-32)20-30(34)35)24-9-5-7-22(19-24)13-16-29-33-26-11-6-12-28(26)38-29/h3-5,7-10,13,16,19,27,36H,6,11-12,14-15,17-18,20-21H2,1-2H3,(H,34,35)/b16-13+/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3n/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)
BDBM50284903
PNG
((1-{(R)-1-{3-[(E)-2-(5,6-Dihydro-4H-cyclopentathia...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc3CCCc3s2)c1
Show InChI InChI=1S/C32H37NO3S2/c1-31(2,36)25-10-4-3-8-23(25)14-15-27(37-21-32(17-18-32)20-30(34)35)24-9-5-7-22(19-24)13-16-29-33-26-11-6-12-28(26)38-29/h3-5,7-10,13,16,19,27,36H,6,11-12,14-15,17-18,20-21H2,1-2H3,(H,34,35)/b16-13+/t27-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 3n/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