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BDBM82042 1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,6-dione::8-(2-Thienyl)theophylline::CAS_267102::CHEMBL298625::NSC_267102

SMILES: Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1

InChI Key: InChIKey=XKANLKMBLCBGOJ-UHFFFAOYSA-N

Data: 4 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 82042   
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 receptor A1


(Rattus norvegicus (rat))
BDBM82042
PNG
(1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)
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PC cid
PC sid
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PubMed
96.8n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM82042
PNG
(1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)
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CHEMBL
PC cid
PC sid
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PubMed
233n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of 1 nM [3H]N-6-(phenylisopropyl)adenosine to adenosine A1 receptor in rat cortical membranes


J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM82042
PNG
(1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)
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PubMed
1.58E+3n/an/an/an/an/an/an/an/a



Warner-Lambert/Parke-Davis Pharmaceutical Research

Curated by PDSP Ki Database




Mol Pharmacol 29: 331-46 (1986)


BindingDB Entry DOI: 10.7270/Q2MK6BDV
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM82042
PNG
(1,3-Dimethyl-8-thiophen-2-yl-3,7-dihydro-purine-2,...)
Show SMILES Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cccs1
Show InChI InChI=1S/C11H10N4O2S/c1-14-9-7(10(16)15(2)11(14)17)12-8(13-9)6-4-3-5-18-6/h3-5H,1-2H3,(H,12,13)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.63E+3n/an/an/an/an/an/an/an/a



NIDDK

Curated by ChEMBL


Assay Description
Inhibition of binding of [3H]5'-(N-ethylcarbamoyl)-adenosine to adenosine A2 receptor in rat striatal membranes


J Med Chem 32: 1873-9 (1989)


BindingDB Entry DOI: 10.7270/Q2708213
More data for this
Ligand-Target Pair