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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 508.9
BDBM50172351

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


(Homo sapiens (Human))
BDBM50172351
PNG
(CHEMBL3809628)
Show SMILES OC(=O)c1[nH]c2ccccc2c1\C=C\C(=O)OCc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C30H21ClN2O4/c31-22-11-9-21-10-13-23(32-27(21)17-22)12-8-19-4-3-5-20(16-19)18-37-28(34)15-14-25-24-6-1-2-7-26(24)33-29(25)30(35)36/h1-17,33H,18H2,(H,35,36)/b12-8+,15-14+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 120n/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
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50172351
PNG
(CHEMBL3809628)
Show SMILES OC(=O)c1[nH]c2ccccc2c1\C=C\C(=O)OCc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C30H21ClN2O4/c31-22-11-9-21-10-13-23(32-27(21)17-22)12-8-19-4-3-5-20(16-19)18-37-28(34)15-14-25-24-6-1-2-7-26(24)33-29(25)30(35)36/h1-17,33H,18H2,(H,35,36)/b12-8+,15-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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 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