BDBM333237 (2S,3R,4S)-2-(8-(isopentylamino)-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)tetrahydrothiophene-3,4-diol::US10196396, Compound 32

SMILES: CC(C)CCNc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O

InChI Key: InChIKey=FMHMTYOHKMEZCH-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 = 333237   

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))	BDBM333237 ((2S,3R,4S)-2-(8-(isopentylamino)-[1,2,4]triazolo[4...) Show SMILES CC(C)CCNc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H21N5O2S/c1-8(2)3-4-15-12-14-18-17-13(19(14)6-5-16-12)11-10(21)9(20)7-22-11/h5-6,8-11,20-21H,3-4,7H2,1-2H3,(H,15,16)/t9-,10-,11-/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))	BDBM333237 ((2S,3R,4S)-2-(8-(isopentylamino)-[1,2,4]triazolo[4...) Show SMILES CC(C)CCNc1nccn2c(nnc12)[C@@H]1SC[C@@H](O)[C@H]1O Show InChI InChI=1S/C14H21N5O2S/c1-8(2)3-4-15-12-14-18-17-13(19(14)6-5-16-12)11-10(21)9(20)7-22-11/h5-6,8-11,20-21H,3-4,7H2,1-2H3,(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