BDBM50317878 CHEMBL1098520::N6-(4-(2-Aminoethyl)-2,6-di-tert-butylphenol)adenosine

SMILES: CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C

InChI Key: InChIKey=PGFWZTBYEKWFGQ-FGSUIDRYSA-N

Data: 2 KI

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 = 50317878   

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))	BDBM50317878 (CHEMBL1098520 | N6-(4-(2-Aminoethyl)-2,6-di-tert-b...) Show SMILES CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r| Show InChI InChI=1S/C26H37N5O5/c1-25(2,3)15-9-14(10-16(19(15)33)26(4,5)6)7-8-27-22-18-23(29-12-28-22)31(13-30-18)24-21(35)20(34)17(11-32)36-24/h9-10,12-13,17,20-21,24,32-35H,7-8,11H2,1-6H3,(H,27,28,29)/t17-,20-,21-,24-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50317878 (CHEMBL1098520 | N6-(4-(2-Aminoethyl)-2,6-di-tert-b...) Show SMILES CC(C)(C)c1cc(CCNc2ncnc3n(cnc23)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc(c1O)C(C)(C)C |r| Show InChI InChI=1S/C26H37N5O5/c1-25(2,3)15-9-14(10-16(19(15)33)26(4,5)6)7-8-27-22-18-23(29-12-28-22)31(13-30-18)24-21(35)20(34)17(11-32)36-24/h9-10,12-13,17,20-21,24,32-35H,7-8,11H2,1-6H3,(H,27,28,29)/t17-,20-,21-,24-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Monash University Curated by ChEMBL					Assay Description Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique				Bioorg Med Chem 18: 3078-87 (2010) Article DOI: 10.1016/j.bmc.2010.03.047 BindingDB Entry DOI: 10.7270/Q2X63N4V
					More data for this Ligand-Target Pair