BDBM333254 (2S,3R,4S)-2-(8-((4-iodobenzyl)amino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydrothiophene-3,4-diol::US10196396, Compound 49

SMILES: O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(I)cc3)nccn12

InChI Key: InChIKey=LWDGDYCALRWWRD-JHJVBQTASA-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 = 333254   

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))	BDBM333254 ((2S,3R,4S)-2-(8-((4-iodobenzyl)amino)-[1,2,4]triaz...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(I)cc3)nccn12 Show InChI InChI=1S/C16H16IN5O2S/c17-10-3-1-9(2-4-10)7-19-14-16-21-20-15(22(16)6-5-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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))	BDBM333254 ((2S,3R,4S)-2-(8-((4-iodobenzyl)amino)-[1,2,4]triaz...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)c1nnc2c(NCc3ccc(I)cc3)nccn12 Show InChI InChI=1S/C16H16IN5O2S/c17-10-3-1-9(2-4-10)7-19-14-16-21-20-15(22(16)6-5-18-14)13-12(24)11(23)8-25-13/h1-6,11-13,23-24H,7-8H2,(H,18,19)/t11-,12-,13-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	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