BDBM50187586 CHEMBL3827623

SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1

InChI Key InChIKey=ABDRPDMPTGJLDQ-UHFFFAOYSA-N

Data  8 KI

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 8 hits for monomerid = 50187586   

TargetAdenosine receptor A1(Rattus norvegicus (rat))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi:  175nMAssay Description:Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Rattus norvegicus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]NECA from recombinant rat adenosine receptor A3 expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A3(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Rattus norvegicus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi:  1.99E+3nMAssay Description:Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2a(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187586(CHEMBL3827623)
Show SMILES CCCn1c2nc3N(CCCn3c2c(=O)n(CCC)c1=O)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C26H36N6O3/c1-3-12-31-23-22(24(33)32(13-4-2)26(31)34)30-17-7-16-29(25(30)27-23)20-8-10-21(11-9-20)35-19-18-28-14-5-6-15-28/h8-11H,3-7,12-19H2,1-2H3
Affinity DataKi:  2.38E+3nMAssay Description:Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranesMore data for this Ligand-Target Pair