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BDBM50316903 2-amino-4-(4-fluorophenyl)-8-(2-(pyrrolidin-1-yl)ethoxy)-5H-indeno[1,2-d]pyrimidin-5-one::CHEMBL1087081

SMILES: Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1

InChI Key: InChIKey=DOUZYYPAGNYRDV-UHFFFAOYSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   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 = 50316903   
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))
BDBM50316903
PNG
(2-amino-4-(4-fluorophenyl)-8-(2-(pyrrolidin-1-yl)e...)
Show SMILES Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27)
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MMDB

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PC cid
PC sid
UniChem

Similars

Article
PubMed
117n/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))
BDBM50316903
PNG
(2-amino-4-(4-fluorophenyl)-8-(2-(pyrrolidin-1-yl)e...)
Show SMILES Nc1nc2-c3cc(OCCN4CCCC4)ccc3C(=O)c2c(n1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H21FN4O2/c24-15-5-3-14(4-6-15)20-19-21(27-23(25)26-20)18-13-16(7-8-17(18)22(19)29)30-12-11-28-9-1-2-10-28/h3-8,13H,1-2,9-12H2,(H2,25,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
600n/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