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BDBM50317024 3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,2-d]pyrimidin-4-yl)benzonitrile::CHEMBL1087708

SMILES: Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N

InChI Key: InChIKey=LRLQMZVJBDOPDM-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 = 50317024   
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))
BDBM50317024
PNG
(3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.40n/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))
BDBM50317024
PNG
(3-(2-amino-9-(morpholinomethyl)-5-oxo-5H-indeno[1,...)
Show SMILES Nc1nc2-c3c(cccc3CN3CCOCC3)C(=O)c2c(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C23H19N5O2/c24-12-14-3-1-4-15(11-14)20-19-21(27-23(25)26-20)18-16(5-2-6-17(18)22(19)29)13-28-7-9-30-10-8-28/h1-6,11H,7-10,13H2,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
75n/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