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BDBM50294666 (2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)-tetrahydrofuran-3,4-diol::CHEMBL549352

SMILES: O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12

InChI Key: InChIKey=DBOWVIYWCSBVDB-AXAPSJFSSA-N

Data: 3 KI

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50294666   
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))
BDBM50294666
PNG
((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1
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Article
PubMed
90.2n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 3733-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.034
BindingDB Entry DOI: 10.7270/Q2V69JMJ
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50294666
PNG
((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1
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PC sid
UniChem

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Article
PubMed
795n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting


Bioorg Med Chem 17: 3733-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.034
BindingDB Entry DOI: 10.7270/Q2V69JMJ
More data for this
Ligand-Target Pair
Adenosine receptor A2


(Homo sapiens (Human))
BDBM50294666
PNG
((2R,3R,4R)-2-(6-(3-Iodobenzylamino)-9H-purin-9-yl)...)
Show SMILES O[C@@H]1CO[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
Show InChI InChI=1S/C16H16IN5O3/c17-10-3-1-2-9(4-10)5-18-14-12-15(20-7-19-14)22(8-21-12)16-13(24)11(23)6-25-16/h1-4,7-8,11,13,16,23-24H,5-6H2,(H,18,19,20)/t11-,13-,16-/m1/s1
PDB
MMDB

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PC sid
UniChem

Similars

Article
PubMed
997n/an/an/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting


Bioorg Med Chem 17: 3733-8 (2009)


Article DOI: 10.1016/j.bmc.2009.03.034
BindingDB Entry DOI: 10.7270/Q2V69JMJ
More data for this
Ligand-Target Pair