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BDBM50268108 8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-ethyl-1H-purine-2,6(3H,7H)-dione::CHEMBL519813

InChI string: InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)

SMILES: CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=WCNLWPYBWVTRQC-UHFFFAOYSA-N

Data: 6 KI  1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50268108   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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Article
PubMed
1.15n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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PubMed
152n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor


(Rattus norvegicus (rat))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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250n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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335n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor


Citation and Details
More data for this
Ligand-Target Pair
Adenosine Receptor A1


(Homo sapiens (human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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PubMed
1.84E+3n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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>1.00E+4n/an/an/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Adenosine receptor A2b


(Homo sapiens (Human))
BDBM50268108
PNG
(8-(4-(4-benzylpiperazin-1-ylsulfonyl)phenyl)-1-eth...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C24H26N6O4S/c1-2-30-23(31)20-22(27-24(30)32)26-21(25-20)18-8-10-19(11-9-18)35(33,34)29-14-12-28(13-15-29)16-17-6-4-3-5-7-17/h3-11H,2,12-16H2,1H3,(H,25,26)(H,27,32)
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n/an/a 4.49n/an/an/an/an/an/a



Institute

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2B receptor in human Jurkat T cells assessed as inhibition of NECA-induced increase in intracellular calcium concen...


Citation and Details
More data for this
Ligand-Target Pair