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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
BDBM50172337

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))
BDBM50172337
PNG
(CHEMBL3808613)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c2c1
Show InChI InChI=1S/C30H22ClN3O4/c1-38-23-11-13-26-25(17-23)24(29(34-26)30(36)37)12-14-28(35)33-22-4-2-3-18(15-22)5-9-21-10-7-19-6-8-20(31)16-27(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b9-5+,14-12+
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 25n/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))
BDBM50172337
PNG
(CHEMBL3808613)
Show SMILES COc1ccc2[nH]c(C(O)=O)c(\C=C\C(=O)Nc3cccc(\C=C\c4ccc5ccc(Cl)cc5n4)c3)c2c1
Show InChI InChI=1S/C30H22ClN3O4/c1-38-23-11-13-26-25(17-23)24(29(34-26)30(36)37)12-14-28(35)33-22-4-2-3-18(15-22)5-9-21-10-7-19-6-8-20(31)16-27(19)32-21/h2-17,34H,1H3,(H,33,35)(H,36,37)/b9-5+,14-12+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.60E+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