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BDBM50268149 1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfonyl)phenyl)-3,7-dihydropurine-2,6-dione::CHEMBL484899

InChI string: InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)

SMILES: CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1

InChI Key: InChIKey=GLENVIZFDNPZHM-UHFFFAOYSA-N

Data: 6 KI

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 6 hits for monomerid = 50268149   
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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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PubMed
0.695n/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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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Article
PubMed
144n/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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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359n/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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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PubMed
388n/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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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PubMed
2.07E+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))
BDBM50268149
PNG
(1-Ethyl-8-(4-(4-(3-fluorobenzyl)piperazine-1-sulfo...)
Show SMILES CCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(Cc2cccc(F)c2)CC1
Show InChI InChI=1S/C24H25FN6O4S/c1-2-31-23(32)20-22(28-24(31)33)27-21(26-20)17-6-8-19(9-7-17)36(34,35)30-12-10-29(11-13-30)15-16-4-3-5-18(25)14-16/h3-9,14H,2,10-13,15H2,1H3,(H,26,27)(H,28,33)
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PubMed
5.78E+3n/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