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BDBM50317014 2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1086978

SMILES: COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12

InChI Key: InChIKey=OSLAUUGEAJFDHJ-UHFFFAOYSA-N

Data: 2 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50317014   
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 A2a


(Homo sapiens (human))
BDBM50317014
PNG
(2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...)
Show SMILES COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)
PDB
MMDB

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CHEMBL
PC cid
PC sid
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Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A2A receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (human))
BDBM50317014
PNG
(2-amino-4-(3-methoxyphenyl)-5H-indeno[1,2-d]pyrimi...)
Show SMILES COc1cccc(c1)-c1nc(N)nc2-c3ccccc3C(=O)c12
Show InChI InChI=1S/C18H13N3O2/c1-23-11-6-4-5-10(9-11)15-14-16(21-18(19)20-15)12-7-2-3-8-13(12)17(14)22/h2-9H,1H3,(H2,19,20,21)
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KEGG

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GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at adenosine A1 receptor


Bioorg Med Chem Lett 20: 2864-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.042
BindingDB Entry DOI: 10.7270/Q2GB246H
More data for this
Ligand-Target Pair