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BDBM50316881 2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1088710

SMILES: CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1

InChI Key: InChIKey=KSTJTXFKYKEBRB-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 = 50316881   
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))
BDBM50316881
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-in...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
17.3n/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))
BDBM50316881
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-phenyl-5H-in...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C21H20N4O2/c1-25(2)10-11-27-14-8-9-15-16(12-14)19-17(20(15)26)18(23-21(22)24-19)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H2,22,23,24)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
33.3n/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