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BDBM333258 (2S,3R,4S)-2-(8-hydroxy-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydrothiophene-3,4-diol::US10196396, Compound 53

SMILES: O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(O)nccn12

InChI Key: InChIKey=XDDROFXMVDQOGW-HSUXUTPPSA-N

Data: 1 KI  1 IC50

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 2 hits for monomerid = 333258   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333258
PNG
((2S,3R,4S)-2-(8-hydroxy-[1,2,4]triazolo[4,3-a]pyra...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(O)nccn12
Show InChI InChI=1S/C9H10N4O3S/c14-4-3-17-6(5(4)15)7-11-12-8-9(16)10-1-2-13(7)8/h1-2,4-6,14-15H,3H2,(H,10,16)/t4-,5-,6-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
55n/an/an/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair
Adenosine receptor A3


(Homo sapiens (Human))
BDBM333258
PNG
((2S,3R,4S)-2-(8-hydroxy-[1,2,4]triazolo[4,3-a]pyra...)
Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(O)nccn12
Show InChI InChI=1S/C9H10N4O3S/c14-4-3-17-6(5(4)15)7-11-12-8-9(16)10-1-2-13(7)8/h1-2,4-6,14-15H,3H2,(H,10,16)/t4-,5-,6-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.50E+3n/an/an/an/an/an/a



HANDOK INC.

US Patent


Assay Description
HEK-293 cell membrane homogenates (32 μg protein), in which A3 adenosine receptors were expressed, are incubated for 120 min at 22 C. with 0.15...


US Patent US10196396 (2019)


BindingDB Entry DOI: 10.7270/Q2DJ5HQC
More data for this
Ligand-Target Pair