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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 573.7
BDBM50000817

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)
BDBM50000817
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-13-12-23(29(18-25)40-3)16-26-20-35(2)28-15-14-24(17-27(26)28)31(36)33-19-22-9-5-6-10-22/h4,7-8,11-15,17-18,20,22H,5-6,9-10,16,19H2,1-3H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Binding affinity to the leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes assayed using [3H]LTD4 as radioligand


J Med Chem 36: 394-409 (1993)


Article DOI: 10.1021/jm00055a011
BindingDB Entry DOI: 10.7270/Q2FX7D5T
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50000817
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES COc1cc(ccc1Cc1cn(C)c2ccc(cc12)C(=O)NCC1CCCC1)C(=O)NS(=O)(=O)c1ccccc1C
Show InChI InChI=1S/C32H35N3O5S/c1-21-8-4-7-11-30(21)41(38,39)34-32(37)25-13-12-23(29(18-25)40-3)16-26-20-35(2)28-15-14-24(17-27(26)28)31(36)33-19-22-9-5-6-10-22/h4,7-8,11-15,17-18,20,22H,5-6,9-10,16,19H2,1-3H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
3.20n/an/an/an/an/an/an/an/a



ZENECA Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Inhibition constant for displacement of [3H]-LTD4 on guinea pig lung parenchymal membranes


J Med Chem 37: 1282-97 (1994)


BindingDB Entry DOI: 10.7270/Q2SN0812
More data for this
Ligand-Target Pair