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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
BDBM50284890

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)
BDBM50284890
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclopropyl-thiazol-2-yl)-v...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CC2)c1
Show InChI InChI=1S/C32H37NO3S2/c1-31(2,36)26-9-4-3-7-23(26)13-14-28(38-21-32(16-17-32)19-30(34)35)25-8-5-6-22(18-25)10-15-29-33-27(20-37-29)24-11-12-24/h3-10,15,18,20,24,28,36H,11-14,16-17,19,21H2,1-2H3,(H,34,35)/b15-10+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.70n/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)
BDBM50284890
PNG
((1-{(R)-1-{3-[(E)-2-(4-Cyclopropyl-thiazol-2-yl)-v...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)C2CC2)c1
Show InChI InChI=1S/C32H37NO3S2/c1-31(2,36)26-9-4-3-7-23(26)13-14-28(38-21-32(16-17-32)19-30(34)35)25-8-5-6-22(18-25)10-15-29-33-27(20-37-29)24-11-12-24/h3-10,15,18,20,24,28,36H,11-14,16-17,19,21H2,1-2H3,(H,34,35)/b15-10+/t28-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 1.70n/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