BDBM333228 (2S,3R,4S)-2-(8-((furan-3-ylmethyl)amino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydrothiophene-3,4-diol::US10196396, Compound 23

SMILES: O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccoc3)nccn12

InChI Key: InChIKey=WZEBINGADMNZHW-GMTAPVOTSA-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 = 333228   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Adenosine receptor A3 (Homo sapiens (Human))	BDBM333228 ((2S,3R,4S)-2-(8-((furan-3-ylmethyl)amino)-[1,2,4]t...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccoc3)nccn12 Show InChI InChI=1S/C14H15N5O3S/c20-9-7-23-11(10(9)21)13-17-18-14-12(15-2-3-19(13)14)16-5-8-1-4-22-6-8/h1-4,6,9-11,20-21H,5,7H2,(H,15,16)/t9-,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	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))	BDBM333228 ((2S,3R,4S)-2-(8-((furan-3-ylmethyl)amino)-[1,2,4]t...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccoc3)nccn12 Show InChI InChI=1S/C14H15N5O3S/c20-9-7-23-11(10(9)21)13-17-18-14-12(15-2-3-19(13)14)16-5-8-1-4-22-6-8/h1-4,6,9-11,20-21H,5,7H2,(H,15,16)/t9-,10-,11-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	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