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BDBM50165069 9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-ylamine::9-(2,6-difluorobenzyl)-6-(furan-2-yl)-9H-purin-2-amine::CHEMBL371615

SMILES: Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1

InChI Key: InChIKey=YTWMJKSWSGCEPN-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50165069   
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))
BDBM50165069
PNG
(9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
Show InChI InChI=1S/C16H11F2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22)
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3n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A2A receptor


Bioorg Med Chem Lett 18: 2924-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (Human))
BDBM50165069
PNG
(9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
Show InChI InChI=1S/C16H11F2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22)
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4.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes


Bioorg Med Chem Lett 15: 2119-22 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.031
BindingDB Entry DOI: 10.7270/Q2542N3H
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50165069
PNG
(9-(2,6-Difluoro-benzyl)-6-furan-2-yl-9H-purin-2-yl...)
Show SMILES Nc1nc(-c2ccco2)c2ncn(Cc3c(F)cccc3F)c2n1
Show InChI InChI=1S/C16H11F2N5O/c17-10-3-1-4-11(18)9(10)7-23-8-20-14-13(12-5-2-6-24-12)21-16(19)22-15(14)23/h1-6,8H,7H2,(H2,19,21,22)
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612n/an/an/an/an/an/an/an/a



Vernalis (R&D) Ltd

Curated by ChEMBL


Assay Description
Binding affinity at human adenosine A1 receptor


Bioorg Med Chem Lett 18: 2924-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.03.072
BindingDB Entry DOI: 10.7270/Q23779KZ
More data for this
Ligand-Target Pair