BDBM50190709 8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-propyl-1H-purine-2,6(3H,7H)-dione::8-[4-(4-benzylpiperazide-1-sulfonyl)phenyl]-1-propylxanthine::CHEMBL212625

SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

InChI Key InChIKey=HHNGYTVWOXXKET-UHFFFAOYSA-N

Data  22 KI  1 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50190709   

TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  1.33nMAssay Description:Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  3.60nMAssay Description:Antagonist activity against human adenosine A2B receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  3.60nMAssay Description:Displacement of [3H]PSB298 from human recombinant adenosine A2B receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  3.60nMAssay Description:Binding affinity to human adenosine A2B receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  93.7nMAssay Description:Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  93.7nMAssay Description:Binding affinity to rat adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
University of Bonn

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  93.7nMAssay Description:Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  260nMAssay Description:Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  260nMAssay Description:Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Rattus norvegicus (rat))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  260nMAssay Description:Binding affinity to rat adenosine A1 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  484nMAssay Description:Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  484nMAssay Description:Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  484nMAssay Description:Binding affinity to human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  484nMAssay Description:Antagonist activity against human adenosine A2A receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB11 from human recombinant adenosine A3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi: >1.00E+3nMAssay Description:Antagonist activity against human adenosine A3 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to human adenosine A3 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  2.07E+3nMAssay Description:Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  2.07E+3nMAssay Description:Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  2.07E+3nMAssay Description:Binding affinity to human adenosine A1 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataKi:  2.07E+3nMAssay Description:Antagonist activity against human adenosine A1 receptorMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Institute

Curated by ChEMBL
LigandPNGBDBM50190709(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-pro...)
Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C25H28N6O4S/c1-2-12-31-24(32)21-23(28-25(31)33)27-22(26-21)19-8-10-20(11-9-19)36(34,35)30-15-13-29(14-16-30)17-18-6-4-3-5-7-18/h3-11H,2,12-17H2,1H3,(H,26,27)(H,28,33)
Affinity DataIC50: 10.1nMAssay Description:Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...More data for this Ligand-Target Pair