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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 575.7
BDBM50041341

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)
BDBM50041341
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCC(CC)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C32H37N3O5S/c1-6-22(7-2)19-33-31(36)24-14-15-28-27(17-24)26(20-35(28)4)16-23-12-13-25(18-29(23)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-15,17-18,20,22H,6-7,16,19H2,1-5H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



ICI Pharmaceuticals Group

Curated by ChEMBL


Assay Description
Binding affinity against leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes using [3H]LTD4 as radio ligand


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)
BDBM50041341
PNG
(3-[2-Methoxy-4-(toluene-2-sulfonylaminocarbonyl)-b...)
Show SMILES CCC(CC)CNC(=O)c1ccc2n(C)cc(Cc3ccc(cc3OC)C(=O)NS(=O)(=O)c3ccccc3C)c2c1
Show InChI InChI=1S/C32H37N3O5S/c1-6-22(7-2)19-33-31(36)24-14-15-28-27(17-24)26(20-35(28)4)16-23-12-13-25(18-29(23)40-5)32(37)34-41(38,39)30-11-9-8-10-21(30)3/h8-15,17-18,20,22H,6-7,16,19H2,1-5H3,(H,33,36)(H,34,37)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
4.70n/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