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BDBM50020973 1,3-Diethyl-8-[4-(4-methyl-piperazine-1-sulfonyl)-phenyl]-3,7-dihydro-purine-2,6-dione::CHEMBL11049

SMILES: CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1

InChI Key: InChIKey=DBKFUHXRVQFACP-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50020973   
Target/Host
(Institution)
LigandTarget/Host
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 A1 receptor


(BOVINE)
BDBM50020973
PNG
(1,3-Diethyl-8-[4-(4-methyl-piperazine-1-sulfonyl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H26N6O4S/c1-4-25-18-16(19(27)26(5-2)20(25)28)21-17(22-18)14-6-8-15(9-7-14)31(29,30)24-12-10-23(3)11-13-24/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 6.5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against bovine brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50020973
PNG
(1,3-Diethyl-8-[4-(4-methyl-piperazine-1-sulfonyl)-...)
Show SMILES CCn1c2nc([nH]c2c(=O)n(CC)c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C20H26N6O4S/c1-4-25-18-16(19(27)26(5-2)20(25)28)21-17(22-18)14-6-8-15(9-7-14)31(29,30)24-12-10-23(3)11-13-24/h6-9H,4-5,10-13H2,1-3H3,(H,21,22)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 190n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity against rat brain adenosine A1 receptor by using N6-[3H]- cyclohexyladenosine as radioligand


J Med Chem 28: 1071-9 (1985)

Checked by Author
Article DOI: 10.1021/jm00146a016
BindingDB Entry DOI: 10.7270/Q2445N2W
More data for this
Ligand-Target Pair