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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 523.9
BDBM50172335

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))
BDBM50172335
PNG
(CHEMBL3810210)
Show SMILES COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O
Show InChI InChI=1S/C30H22ClN3O4/c1-38-26-7-3-6-23-24(29(30(36)37)34-28(23)26)14-15-27(35)33-22-5-2-4-18(16-22)8-12-21-13-10-19-9-11-20(31)17-25(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b12-8+,15-14+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.90n/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))
BDBM50172335
PNG
(CHEMBL3810210)
Show SMILES COc1cccc2c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c([nH]c12)C(O)=O
Show InChI InChI=1S/C30H22ClN3O4/c1-38-26-7-3-6-23-24(29(30(36)37)34-28(23)26)14-15-27(35)33-22-5-2-4-18(16-22)8-12-21-13-10-19-9-11-20(31)17-25(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/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 1.50E+4n/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