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BDBM50371701 CHEMBL271881

SMILES: CCOc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1

InChI Key: InChIKey=BQOUWXFQBLJGOZ-UHFFFAOYSA-M

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50371701   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Purinergic receptor P2Y2


(Homo sapiens)
BDBM50371701
PNG
(CHEMBL271881)
Show SMILES CCOc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-13-9-7-12(8-10-13)24-16-11-17(31(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.15E+4n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)

More data for this
Ligand-Target Pair
Purinergic receptor P2Y2


(Mus musculus)
BDBM50371701
PNG
(CHEMBL271881)
Show SMILES CCOc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)cc1
Show InChI InChI=1S/C22H18N2O6S/c1-2-30-13-9-7-12(8-10-13)24-16-11-17(31(27,28)29)20(23)19-18(16)21(25)14-5-3-4-6-15(14)22(19)26/h3-11,24H,2,23H2,1H3,(H,27,28,29)/p-1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 9.00E+3n/an/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilization


Bioorg Med Chem Lett 18: 223-7 (2008)

More data for this
Ligand-Target Pair