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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
BDBM50033034

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))
BDBM50033034
PNG
(CHEMBL3342950)
Show SMILES CC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C28H28N2O6/c1-19(31)30-18-25(28(33)34)36-26-23(11-7-12-24(26)30)29-27(32)21-13-15-22(16-14-21)35-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,25H,5-6,10,17-18H2,1H3,(H,29,32)(H,33,34)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 13n/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))
BDBM50033034
PNG
(CHEMBL3342950)
Show SMILES CC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show InChI InChI=1S/C28H28N2O6/c1-19(31)30-18-25(28(33)34)36-26-23(11-7-12-24(26)30)29-27(32)21-13-15-22(16-14-21)35-17-6-5-10-20-8-3-2-4-9-20/h2-4,7-9,11-16,25H,5-6,10,17-18H2,1H3,(H,29,32)(H,33,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.60E+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