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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cysteinyl leukotriene receptor 2' and Ligand = 'BDBM50104919'   
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


(GUINEA PIG)
BDBM50104919
PNG
(CHEMBL3597632)
Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)
UniProtKB/TrEMBL

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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Setsunan University

Curated by ChEMBL


Assay Description
Antagonist activity at guinea pig CysLT2 expressed in CHOK1 cells assessed as inhibition of LTC4-induced calcium mobilization preincubated for 30 min...


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 2


(Homo sapiens (Human))
BDBM50104919
PNG
(CHEMBL3597632)
Show SMILES Cc1c(CCCC(O)=O)c2c(F)ccc(C#Cc3ccc(OCCCCc4c(F)cc(F)c(F)c4F)cc3)c2n1CCCC(O)=O
Show InChI InChI=1S/C35H32F5NO5/c1-21-25(7-4-8-30(42)43)32-27(36)17-14-23(35(32)41(21)18-5-9-31(44)45)13-10-22-11-15-24(16-12-22)46-19-3-2-6-26-28(37)20-29(38)34(40)33(26)39/h11-12,14-17,20H,2-9,18-19H2,1H3,(H,42,43)(H,44,45)
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 13n/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