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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 440.9
BDBM50068987

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 1/2


(Homo sapiens (Human))
BDBM50068987
PNG
(CHEMBL175119 | N-[3-(7-Chloro-quinolin-2-ylmethoxy...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

antibodypedia
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 0.800n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for antagonistic activity against LTD4 receptor in guinea pig ileum


Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(GUINEA PIG)
BDBM50068987
PNG
(CHEMBL175119 | N-[3-(7-Chloro-quinolin-2-ylmethoxy...)
Show SMILES CCC(CC)(CC(=O)Nc1cccc(OCc2ccc3ccc(Cl)cc3n2)c1)C(O)=O
Show InChI InChI=1S/C24H25ClN2O4/c1-3-24(4-2,23(29)30)14-22(28)27-18-6-5-7-20(13-18)31-15-19-11-9-16-8-10-17(25)12-21(16)26-19/h5-13H,3-4,14-15H2,1-2H3,(H,27,28)(H,29,30)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 64n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Compound was evaluated in vitro for inhibition of [3H]-LTD4 binding to guinea pig lung membrane


Bioorg Med Chem Lett 8: 965-70 (1999)


BindingDB Entry DOI: 10.7270/Q2V123XT
More data for this
Ligand-Target Pair