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BDBM50316896 2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1095812

SMILES: CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1

InChI Key: InChIKey=XEDRPMHGWQSYFG-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 = 50316896   
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))
BDBM50316896
PNG
(2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H...)
Show SMILES CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
12.5n/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))
BDBM50316896
PNG
(2-amino-8-(1-ethylpiperidin-4-ylamino)-4-phenyl-5H...)
Show SMILES CCN1CCC(CC1)Nc1ccc2C(=O)c3c(nc(N)nc3-c3ccccc3)-c2c1
Show InChI InChI=1S/C24H25N5O/c1-2-29-12-10-16(11-13-29)26-17-8-9-18-19(14-17)22-20(23(18)30)21(27-24(25)28-22)15-6-4-3-5-7-15/h3-9,14,16,26H,2,10-13H2,1H3,(H2,25,27,28)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
142n/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