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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 563.8
BDBM50284893

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)
BDBM50284893
PNG
((1-{(R)-1-{3-[(E)-2-(4-tert-Butyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(C)c1csc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
Show InChI InChI=1S/C33H41NO3S2/c1-31(2,3)28-21-38-29(34-28)16-13-23-9-8-11-25(19-23)27(39-22-33(17-18-33)20-30(35)36)15-14-24-10-6-7-12-26(24)32(4,5)37/h6-13,16,19,21,27,37H,14-15,17-18,20,22H2,1-5H3,(H,35,36)/b16-13+/t27-/m1/s1
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
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)
BDBM50284893
PNG
((1-{(R)-1-{3-[(E)-2-(4-tert-Butyl-thiazol-2-yl)-vi...)
Show SMILES CC(C)(C)c1csc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
Show InChI InChI=1S/C33H41NO3S2/c1-31(2,3)28-21-38-29(34-28)16-13-23-9-8-11-25(19-23)27(39-22-33(17-18-33)20-30(35)36)15-14-24-10-6-7-12-26(24)32(4,5)37/h6-13,16,19,21,27,37H,14-15,17-18,20,22H2,1-5H3,(H,35,36)/b16-13+/t27-/m1/s1
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
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