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BDBM50316995 2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087714

SMILES: Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1

InChI Key: InChIKey=PHKMNQZRCLRHSW-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 = 50316995   
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))
BDBM50316995
PNG
(2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...)
Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)
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PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5.30n/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))
BDBM50316995
PNG
(2-amino-8-((furan-2-ylmethylamino)methyl)-4-phenyl...)
Show SMILES Nc1nc2-c3cc(CNCc4ccco4)ccc3C(=O)c2c(n1)-c1ccccc1
Show InChI InChI=1S/C23H18N4O2/c24-23-26-20(15-5-2-1-3-6-15)19-21(27-23)18-11-14(8-9-17(18)22(19)28)12-25-13-16-7-4-10-29-16/h1-11,25H,12-13H2,(H2,24,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
12.5n/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