BDBM50140942 CHEMBL33491::N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-methyl-1H-pyrazol-3-yloxy]-acetamide

SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C

InChI Key InChIKey=FCMUQGWJTIVYIU-UHFFFAOYSA-N

Data  5 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 6 hits for monomerid = 50140942   

TargetAdenosine receptor A2b(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataKi:  10nMAssay Description:Binding affinity of compound for displacement of [3H]DPCPX binding in HEK293 membranes expressing human A2B adenosine receptorsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataKi:  10nMAssay Description:Binding affinity of compound for displacement of specific [3H]- DPCPX binding at human A2B receptors expressed in HEK293 cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataKi:  700nMAssay Description:Displacement of specific [3H]DPCPX binding at human adenosine A1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity of compound for displacement of specific [3H]ZM-241385 binding at human adenosine A2A receptor expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity of compound for displacement of specific [3H]MRE3008-F20 binding at human A3 receptors expressed in CHO cellsMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Universit£ di Ferrara

Curated by ChEMBL
LigandPNGBDBM50140942(CHEMBL33491 | N-(3,4-Dimethyl-phenyl)-2-[5-(2,6-di...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1cc(OCC(=O)Nc2ccc(C)c(C)c2)nn1C
Show InChI InChI=1S/C25H31N7O4/c1-6-10-31-23-21(24(34)32(11-7-2)25(31)35)27-22(28-23)18-13-20(29-30(18)5)36-14-19(33)26-17-9-8-15(3)16(4)12-17/h8-9,12-13H,6-7,10-11,14H2,1-5H3,(H,26,33)(H,27,28)
Affinity DataIC50: 40nMAssay Description:Inhibitory activity against cAMP production in CHO cells transfected with human A2B adenosine receptorMore data for this Ligand-Target Pair