BDBM333208 (2S,3R,4S)-2-(8-(piperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydrothiophene-3,4-diol::US10196396, Compound 3

SMILES: O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)N1CCCCC1

InChI Key: InChIKey=DDPWNYOCXAWCHR-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 = 333208   

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))	BDBM333208 ((2S,3R,4S)-2-(8-(piperidin-1-yl)-[1,2,4]triazolo[4...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)N1CCCCC1 Show InChI InChI=1S/C14H19N5O2S/c20-9-8-22-11(10(9)21)12-16-17-14-13(15-4-7-19(12)14)18-5-2-1-3-6-18/h4,7,9-11,20-21H,1-3,5-6,8H2/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))	BDBM333208 ((2S,3R,4S)-2-(8-(piperidin-1-yl)-[1,2,4]triazolo[4...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(nccn12)N1CCCCC1 Show InChI InChI=1S/C14H19N5O2S/c20-9-8-22-11(10(9)21)12-16-17-14-13(15-4-7-19(12)14)18-5-2-1-3-6-18/h4,7,9-11,20-21H,1-3,5-6,8H2/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	55	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