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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 516.5
BDBM50033059

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))
BDBM50033059
PNG
(CHEMBL3341770)
Show SMILES CCCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C30H32N2O6/c1-2-9-27(33)32-20-26(30(35)36)38-28-24(13-8-14-25(28)32)31-29(34)22-15-17-23(18-16-22)37-19-7-6-12-21-10-4-3-5-11-21/h3-5,8,10-11,13-18,26H,2,6-7,9,12,19-20H2,1H3,(H,31,34)(H,35,36)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 300n/an/an/an/an/an/a



Ono Pharmaceutical Co., Ltd.

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 receptor expressed in CHO cells assessed as inhibition of LTD4-inudced intracellular calcium influx preincubated ...


ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 2


(Homo sapiens (Human))
BDBM50033059
PNG
(CHEMBL3341770)
Show SMILES CCCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C30H32N2O6/c1-2-9-27(33)32-20-26(30(35)36)38-28-24(13-8-14-25(28)32)31-29(34)22-15-17-23(18-16-22)37-19-7-6-12-21-10-4-3-5-11-21/h3-5,8,10-11,13-18,26H,2,6-7,9,12,19-20H2,1H3,(H,31,34)(H,35,36)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.70E+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...


ACS Med Chem Lett 5: 1230-4 (2014)


Article DOI: 10.1021/ml500298y
BindingDB Entry DOI: 10.7270/Q2QV3P3H
More data for this
Ligand-Target Pair