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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 515.5
BDBM50066908

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 2


(Homo sapiens (Human))
BDBM50066908
PNG
(CHEMBL3401687)
Show SMILES OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H33NO6/c33-29(34)13-7-20-32-22-28(31(35)36)38-30-25(11-6-12-27(30)32)17-14-24-15-18-26(19-16-24)37-21-5-4-10-23-8-2-1-3-9-23/h1-3,6,8-9,11-12,14-19,28H,4-5,7,10,13,20-22H2,(H,33,34)(H,35,36)/b17-14+
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Article
PubMed
n/an/a 5.70n/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 1


(Homo sapiens (Human))
BDBM50066908
PNG
(CHEMBL3401687)
Show SMILES OC(=O)CCCN1CC(Oc2c(\C=C\c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C31H33NO6/c33-29(34)13-7-20-32-22-28(31(35)36)38-30-25(11-6-12-27(30)32)17-14-24-15-18-26(19-16-24)37-21-5-4-10-23-8-2-1-3-9-23/h1-3,6,8-9,11-12,14-19,28H,4-5,7,10,13,20-22H2,(H,33,34)(H,35,36)/b17-14+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 70n/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