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BDBM50316885 2-amino-8-(2-(diisopropylamino)ethoxy)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1094721

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

InChI Key: InChIKey=DXHVDEOWTGAGFG-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 = 50316885   
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))
BDBM50316885
PNG
(2-amino-8-(2-(diisopropylamino)ethoxy)-4-phenyl-5H...)
Show SMILES CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C
Show InChI InChI=1S/C25H28N4O2/c1-15(2)29(16(3)4)12-13-31-18-10-11-19-20(14-18)23-21(24(19)30)22(27-25(26)28-23)17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3,(H2,26,27,28)
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
13.7n/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))
BDBM50316885
PNG
(2-amino-8-(2-(diisopropylamino)ethoxy)-4-phenyl-5H...)
Show SMILES CC(C)N(CCOc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1)C(C)C
Show InChI InChI=1S/C25H28N4O2/c1-15(2)29(16(3)4)12-13-31-18-10-11-19-20(14-18)23-21(24(19)30)22(27-25(26)28-23)17-8-6-5-7-9-17/h5-11,14-16H,12-13H2,1-4H3,(H2,26,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
187n/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