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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 613.8
BDBM50284889

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)
BDBM50284889
PNG
(CHEMBL40836 | {1-[(R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES COc1ccc(cc1)-c1csc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
Show InChI InChI=1S/C36H39NO4S2/c1-35(2,40)30-10-5-4-8-26(30)14-17-32(43-24-36(19-20-36)22-34(38)39)28-9-6-7-25(21-28)11-18-33-37-31(23-42-33)27-12-15-29(41-3)16-13-27/h4-13,15-16,18,21,23,32,40H,14,17,19-20,22,24H2,1-3H3,(H,38,39)/b18-11+/t32-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 98.7n/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)
BDBM50284889
PNG
(CHEMBL40836 | {1-[(R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES COc1ccc(cc1)-c1csc(\C=C\c2cccc(c2)[C@@H](CCc2ccccc2C(C)(C)O)SCC2(CC(O)=O)CC2)n1
Show InChI InChI=1S/C36H39NO4S2/c1-35(2,40)30-10-5-4-8-26(30)14-17-32(43-24-36(19-20-36)22-34(38)39)28-9-6-7-25(21-28)11-18-33-37-31(23-42-33)27-12-15-29(41-3)16-13-27/h4-13,15-16,18,21,23,32,40H,14,17,19-20,22,24H2,1-3H3,(H,38,39)/b18-11+/t32-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 99n/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