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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 579.6
BDBM50104867

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))
BDBM50104867
PNG
(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
PDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT2 expressed in HEK293 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pr...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair
Cysteinyl leukotriene receptor 1


(Homo sapiens (Human))
BDBM50104867
PNG
(CHEMBL3597530)
Show SMILES Cc1c(CCCC(O)=O)c2cccc(\C=C\c3ccc(OCCCCc4c(F)ccc(F)c4F)cc3)c2n1CC(O)=O
Show InChI InChI=1S/C33H32F3NO5/c1-21-25(8-5-10-30(38)39)26-9-4-6-23(33(26)37(21)20-31(40)41)14-11-22-12-15-24(16-13-22)42-19-3-2-7-27-28(34)17-18-29(35)32(27)36/h4,6,9,11-18H,2-3,5,7-8,10,19-20H2,1H3,(H,38,39)(H,40,41)/b14-11+
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.40n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at human CysLT1 expressed in CHOK1 cells assessed as inhibition of LTD4-induced calcium mobilization preincubated for 30 mins pri...


J Med Chem 58: 6093-113 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00741
BindingDB Entry DOI: 10.7270/Q2QJ7K27
More data for this
Ligand-Target Pair