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BDBM50005372 8-(2-Methyl-thiazol-4-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione::CHEMBL174120

SMILES: CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1

InChI Key: InChIKey=KLNMDWXOKKWGJH-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50005372   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine A1 receptor


(GUINEA PIG)
BDBM50005372
PNG
(8-(2-Methyl-thiazol-4-yl)-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
Show InChI InChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
410n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair
Adenosine A2 receptor


(Rattus norvegicus-Rattus norvegicus (rat))
BDBM50005372
PNG
(8-(2-Methyl-thiazol-4-yl)-1,3-dipropyl-3,7-dihydro...)
Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1csc(C)n1
Show InChI InChI=1S/C15H19N5O2S/c1-4-6-19-13-11(14(21)20(7-5-2)15(19)22)17-12(18-13)10-8-23-9(3)16-10/h8H,4-7H2,1-3H3,(H,17,18)
PDB

Reactome pathway

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.30E+3n/an/an/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity against adenosine A2 receptor using N-[3H]-ethyladenosin-5''-uronamide as radioligand in rat striatal membranes.


J Med Chem 35: 924-30 (1992)


Article DOI: 10.1021/jm00083a018
BindingDB Entry DOI: 10.7270/Q2NS0VJZ
More data for this
Ligand-Target Pair