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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 583.8
BDBM50284887

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)
BDBM50284887
PNG
(CHEMBL42520 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C35H37NO3S2/c1-34(2,39)29-14-7-6-10-26(29)16-17-31(41-24-35(19-20-35)22-33(37)38)28-13-8-9-25(21-28)15-18-32-36-30(23-40-32)27-11-4-3-5-12-27/h3-15,18,21,23,31,39H,16-17,19-20,22,24H2,1-2H3,(H,37,38)/b18-15+/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 11n/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)
BDBM50284887
PNG
(CHEMBL42520 | [1-((R)-3-[2-(1-Hydroxy-1-methyl-eth...)
Show SMILES CC(C)(O)c1ccccc1CC[C@@H](SCC1(CC(O)=O)CC1)c1cccc(\C=C\c2nc(cs2)-c2ccccc2)c1
Show InChI InChI=1S/C35H37NO3S2/c1-34(2,39)29-14-7-6-10-26(29)16-17-31(41-24-35(19-20-35)22-33(37)38)28-13-8-9-25(21-28)15-18-32-36-30(23-40-32)27-11-4-3-5-12-27/h3-15,18,21,23,31,39H,16-17,19-20,22,24H2,1-2H3,(H,37,38)/b18-15+/t31-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
n/an/a 11n/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