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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 584.2
BDBM50284892

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)
BDBM50284892
PNG
((1-{(R)-1-{3-[(E)-2-(5-Chloro-4-isopropyl-thiazol-...)
Show SMILES CC(C)c1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)sc1Cl
Show InChI InChI=1S/C32H38ClNO3S2/c1-21(2)29-30(33)39-27(34-29)15-12-22-8-7-10-24(18-22)26(38-20-32(16-17-32)19-28(35)36)14-13-23-9-5-6-11-25(23)31(3,4)37/h5-12,15,18,21,26,37H,13-14,16-17,19-20H2,1-4H3,(H,35,36)/b15-12+/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 170n/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)
BDBM50284892
PNG
((1-{(R)-1-{3-[(E)-2-(5-Chloro-4-isopropyl-thiazol-...)
Show SMILES CC(C)c1nc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)sc1Cl
Show InChI InChI=1S/C32H38ClNO3S2/c1-21(2)29-30(33)39-27(34-29)15-12-22-8-7-10-24(18-22)26(38-20-32(16-17-32)19-28(35)36)14-13-23-9-5-6-11-25(23)31(3,4)37/h5-12,15,18,21,26,37H,13-14,16-17,19-20H2,1-4H3,(H,35,36)/b15-12+/t26-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 170n/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