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BDBM50060165 (2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol::1-DEAZA-ADENOSINE::Adenosine receptor agonist, 5::CHEMBL115824

SMILES: Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=NVUDDRWKCUAERS-PNHWDRBUSA-N

Data: 5 KI

PDB links: 2 PDB IDs match this monomer.

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 5 hits for monomerid = 50060165   
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 A1


(Homo sapiens (human))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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PubMed
84n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...


ACS Chem Biol 11: 2763-2772 (2016)

More data for this
Ligand-Target Pair
Adenosine deaminase


(Homo sapiens (human))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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100n/an/an/an/an/an/an/an/a



Bar-Ilan University

Curated by ChEMBL


Assay Description
Inhibition of adenosine deaminase


J Med Chem 54: 107-21 (2011)

More data for this
Ligand-Target Pair
Adenosine deaminase


(Bos taurus (bovine))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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180n/an/an/an/an/an/an/an/a



Southern Illinois University

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase


J Med Chem 40: 3336-45 (1997)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Adenosine receptor A3


(Homo sapiens (human))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
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583n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...


ACS Chem Biol 11: 2763-2772 (2016)

More data for this
Ligand-Target Pair
Adenosine receptor A2a


(Homo sapiens (human))
BDBM50060165
PNG
((2R,3R,4S,5R)-2-(7-Amino-imidazo[4,5-b]pyridin-3-y...)
Show SMILES Nc1ccnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C11H14N4O4/c12-5-1-2-13-10-7(5)14-4-15(10)11-9(18)8(17)6(3-16)19-11/h1-2,4,6,8-9,11,16-18H,3H2,(H2,12,13)/t6-,8-,9-,11-/m1/s1
PDB
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PubMed
645n/an/an/an/an/an/an/an/a



Uppsala University



Assay Description
Radioligand binding assays were performed using membranes prepared from CHO (hA1AR or hA3AR) or HEK293 (hA2AAR) cells stably expressing a single hAR ...


ACS Chem Biol 11: 2763-2772 (2016)

More data for this
Ligand-Target Pair