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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 601.7
BDBM50284888

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)
BDBM50284888
PNG
((1-{(R)-1-(3-{(E)-2-[4-(4-Fluoro-phenyl)-thiazol-2...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C35H36FNO3S2/c1-34(2,40)29-9-4-3-7-25(29)13-16-31(42-23-35(18-19-35)21-33(38)39)27-8-5-6-24(20-27)10-17-32-37-30(22-41-32)26-11-14-28(36)15-12-26/h3-12,14-15,17,20,22,31,40H,13,16,18-19,21,23H2,1-2H3,(H,38,39)/b17-10+/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6.70n/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)
BDBM50284888
PNG
((1-{(R)-1-(3-{(E)-2-[4-(4-Fluoro-phenyl)-thiazol-2...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C35H36FNO3S2/c1-34(2,40)29-9-4-3-7-25(29)13-16-31(42-23-35(18-19-35)21-33(38)39)27-8-5-6-24(20-27)10-17-32-37-30(22-41-32)26-11-14-28(36)15-12-26/h3-12,14-15,17,20,22,31,40H,13,16,18-19,21,23H2,1-2H3,(H,38,39)/b17-10+/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 6.70n/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