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BDBM50124120 2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-4-fluoro-5-(hydroxymethyl)tetrahydrofuran-3-ol::CHEMBL168843

SMILES: CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O

InChI Key: InChIKey=DUOQYMIAHQYRQT-UHFFFAOYNA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50124120   
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 A3


(Homo sapiens (Human))
BDBM50124120
PNG
(2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-4-fluor...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
Show InChI InChI=1/C11H13ClFN5O3/c1-14-8-6-9(17-11(12)16-8)18(3-15-6)10-7(20)5(13)4(2-19)21-10/h3-5,7,10,19-20H,2H2,1H3,(H,14,16,17)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
326n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [125I]AB-MECA from human Adenosine A3 receptor in CHO cells (hA3)


Bioorg Med Chem Lett 13: 817-20 (2003)


Article DOI: 10.1016/s0960-894x(03)00027-1
BindingDB Entry DOI: 10.7270/Q2M32WB7
More data for this
Ligand-Target Pair
Adenosine Receptors A2a (A2a)


(Rattus norvegicus (rat))
BDBM50124120
PNG
(2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-4-fluor...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
Show InChI InChI=1/C11H13ClFN5O3/c1-14-8-6-9(17-11(12)16-8)18(3-15-6)10-7(20)5(13)4(2-19)21-10/h3-5,7,10,19-20H,2H2,1H3,(H,14,16,17)
PDB
MMDB

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GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]-CGS- 21680 from Adenosine A2A receptor in rat brain membrane


Bioorg Med Chem Lett 13: 817-20 (2003)


Article DOI: 10.1016/s0960-894x(03)00027-1
BindingDB Entry DOI: 10.7270/Q2M32WB7
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Rattus norvegicus (rat))
BDBM50124120
PNG
(2-[2-chloro-6-(methylamino)-9H-purin-9-yl]-4-fluor...)
Show SMILES CNc1nc(Cl)nc2n(cnc12)C1OC(CO)C(F)C1O
Show InChI InChI=1/C11H13ClFN5O3/c1-14-8-6-9(17-11(12)16-8)18(3-15-6)10-7(20)5(13)4(2-19)21-10/h3-5,7,10,19-20H,2H2,1H3,(H,14,16,17)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.71E+4n/an/an/an/an/an/an/an/a



Seoul National University

Curated by ChEMBL


Assay Description
Displacement of [3H]PIA from Adenosine A1 receptor in rat brain membrane


Bioorg Med Chem Lett 13: 817-20 (2003)


Article DOI: 10.1016/s0960-894x(03)00027-1
BindingDB Entry DOI: 10.7270/Q2M32WB7
More data for this
Ligand-Target Pair