BDBM50187588 CHEMBL3827201

SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=DJMAOAZZXABOFN-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 = 50187588   

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

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
Affinity DataKi:  127nMAssay Description:Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A1(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
Affinity DataKi:  713nMAssay 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
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
Affinity DataKi:  921nMAssay Description:Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranesMore data for this Ligand-Target Pair
TargetAdenosine receptor A2b(Rattus norvegicus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
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 A3(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
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 A3(Rattus norvegicus)
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
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 A2b(Homo sapiens (Human))
Jagiellonian University Medical College

Curated by ChEMBL
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
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
LigandPNGBDBM50187588(CHEMBL3827201)
Show SMILES CCCCn1c2nc3N(CCCn3c2c(=O)n(CCCC)c1=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H42N6O3/c1-3-5-17-34-26-25(27(36)35(29(34)37)18-6-4-2)33-20-10-19-32(28(33)30-26)23-11-13-24(14-12-23)38-22-21-31-15-8-7-9-16-31/h11-14H,3-10,15-22H2,1-2H3
Affinity DataKi:  1.48E+3nMAssay Description:Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranesMore data for this Ligand-Target Pair