Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 2' and Ligand = 'BDBM50336787'
TargetP2Y purinoceptor 2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50336787(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
Affinity DataIC50: 3.04E+3nMAssay Description:Antagonist activity at human recombinant P2Y2 receptor in 1321N1 cells assessed as inhibition of UTP-induced calcium mobilizationMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Homo sapiens (Human))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50336787(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
Affinity DataIC50: 1.00E+4nMAssay Description:Antagonist activity against human P2Y2 receptor expressed in 1321N1 astrocytoma cells by calcium mobilization assayMore data for this Ligand-Target Pair
TargetP2Y purinoceptor 2(Mus musculus)
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50336787(CHEMBL445413 | sodium 1-amino-9,10-dioxo-4-(m-toly...)
Show SMILES Cc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S([O-])(=O)=O)c1
Show InChI InChI=1S/C21H16N2O5S/c1-11-5-4-6-12(9-11)23-15-10-16(29(26,27)28)19(22)18-17(15)20(24)13-7-2-3-8-14(13)21(18)25/h2-10,23H,22H2,1H3,(H,26,27,28)/p-1
Affinity DataIC50: 2.20E+4nMAssay Description:Antagonist activity at mouse P2Y2 receptor in mouse NG108-15 cells assessed as inhibition of UTP-induced calcium mobilizationMore data for this Ligand-Target Pair