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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 384.2
BDBM50172353

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 2


(Homo sapiens (Human))
BDBM50172353
PNG
(CHEMBL3809106)
Show SMILES CC(C)CCCOC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C18H19Cl2NO4/c1-10(2)4-3-7-25-15(22)6-5-12-16-13(20)8-11(19)9-14(16)21-17(12)18(23)24/h5-6,8-10,21H,3-4,7H2,1-2H3,(H,23,24)/b6-5+
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Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity against CysLT2 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...


ACS Med Chem Lett 7: 335-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00482
BindingDB Entry DOI: 10.7270/Q27D2X19
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50172353
PNG
(CHEMBL3809106)
Show SMILES CC(C)CCCOC(=O)\C=C\c1c([nH]c2cc(Cl)cc(Cl)c12)C(O)=O
Show InChI InChI=1S/C18H19Cl2NO4/c1-10(2)4-3-7-25-15(22)6-5-12-16-13(20)8-11(19)9-14(16)21-17(12)18(23)24/h5-6,8-10,21H,3-4,7H2,1-2H3,(H,23,24)/b6-5+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Shanghai Institute of Materia Medica

Curated by ChEMBL


Assay Description
Antagonist activity against CysLT1 receptor (unknown origin) expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization pr...


ACS Med Chem Lett 7: 335-9 (2016)


Article DOI: 10.1021/acsmedchemlett.5b00482
BindingDB Entry DOI: 10.7270/Q27D2X19
More data for this
Ligand-Target Pair