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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 488.5
BDBM50066944

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))
BDBM50066944
PNG
(CHEMBL3401692)
Show SMILES OC(=O)CCCN1CCOc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12
Show InChI InChI=1S/C29H32N2O5/c32-27(33)13-7-18-31-19-21-36-28-25(11-6-12-26(28)31)30-29(34)23-14-16-24(17-15-23)35-20-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17H,4-5,7,10,13,18-21H2,(H,30,34)(H,32,33)
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PC cid
PC sid
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Article
PubMed
n/an/a 1.90E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...


Bioorg Med Chem 23: 2079-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.011
BindingDB Entry DOI: 10.7270/Q2SB47FF
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50066944
PNG
(CHEMBL3401692)
Show SMILES OC(=O)CCCN1CCOc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12
Show InChI InChI=1S/C29H32N2O5/c32-27(33)13-7-18-31-19-21-36-28-25(11-6-12-26(28)31)30-29(34)23-14-16-24(17-15-23)35-20-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17H,4-5,7,10,13,18-21H2,(H,30,34)(H,32,33)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.30E+3n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 receptor expressed in HEK293 cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubat...


Bioorg Med Chem 23: 2079-97 (2015)


Article DOI: 10.1016/j.bmc.2015.03.011
BindingDB Entry DOI: 10.7270/Q2SB47FF
More data for this
Ligand-Target Pair