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)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM333258 ((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	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 ((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/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/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