BindingDB logo
myBDB logout

BDBM50316882 2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087998

SMILES: CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1

InChI Key: InChIKey=GYGCSLNRCIBNMJ-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 = 50316882   
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))
BDBM50316882
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophe...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37.3n/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))
BDBM50316882
PNG
(2-amino-8-(2-(dimethylamino)ethoxy)-4-(4-fluorophe...)
Show SMILES CN(C)CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccc(F)cc3)-c2c1
Show InChI InChI=1S/C21H19FN4O2/c1-26(2)9-10-28-14-7-8-15-16(11-14)19-17(20(15)27)18(24-21(23)25-19)12-3-5-13(22)6-4-12/h3-8,11H,9-10H2,1-2H3,(H2,23,24,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
37.4n/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