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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 518.6
BDBM50066945

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))
BDBM50066945
PNG
(CHEMBL3403184)
Show SMILES OCC1CN(CCCC(O)=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2O1
Show InChI InChI=1S/C30H34N2O6/c33-21-25-20-32(18-7-13-28(34)35)27-12-6-11-26(29(27)38-25)31-30(36)23-14-16-24(17-15-23)37-19-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17,25,33H,4-5,7,10,13,18-21H2,(H,31,36)(H,34,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 410n/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 ...


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))
BDBM50066945
PNG
(CHEMBL3403184)
Show SMILES OCC1CN(CCCC(O)=O)c2cccc(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)c2O1
Show InChI InChI=1S/C30H34N2O6/c33-21-25-20-32(18-7-13-28(34)35)27-12-6-11-26(29(27)38-25)31-30(36)23-14-16-24(17-15-23)37-19-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17,25,33H,4-5,7,10,13,18-21H2,(H,31,36)(H,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 740n/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 ...


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