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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 577.8
BDBM50172333

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))
BDBM50172333
PNG
(CHEMBL3808623)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C30H19Cl3N2O4/c31-20-7-5-19-6-9-22(34-25(19)14-20)8-4-17-2-1-3-18(12-17)16-39-27(36)11-10-23-28-24(33)13-21(32)15-26(28)35-29(23)30(37)38/h1-15,35H,16H2,(H,37,38)/b8-4+,11-10+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 660n/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))
BDBM50172333
PNG
(CHEMBL3808623)
Show SMILES OC(=O)c1[nH]c2cc(Cl)cc(Cl)c2c1\C=C\C(=O)OCc1cccc(\C=C\c2ccc3ccc(Cl)cc3n2)c1
Show InChI InChI=1S/C30H19Cl3N2O4/c31-20-7-5-19-6-9-22(34-25(19)14-20)8-4-17-2-1-3-18(12-17)16-39-27(36)11-10-23-28-24(33)13-21(32)15-26(28)35-29(23)30(37)38/h1-15,35H,16H2,(H,37,38)/b8-4+,11-10+
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