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BDBM50316883 2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087999

SMILES: CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1

InChI Key: InChIKey=HOQTXEAKDQLKNF-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50316883   
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 A2


(Homo sapiens (Human))
BDBM50316883
PNG
(2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-ind...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26)
PDB
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PC cid
PC sid
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Similars

Article
PubMed
7.90n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50316883
PNG
(2-amino-8-(2-(diethylamino)ethoxy)-4-phenyl-5H-ind...)
Show SMILES CCN(CC)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C23H24N4O2/c1-3-27(4-2)12-13-29-16-10-11-17-18(14-16)21-19(22(17)28)20(25-23(24)26-21)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H2,24,25,26)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
103n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonistic activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2868-71 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.024
BindingDB Entry DOI: 10.7270/Q27S7NXB
More data for this
Ligand-Target Pair