BDBM82529 N6-Benzyladenosine-N1-oxide

SMILES: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12

InChI Key: InChIKey=SKVDLRSBEXUBPT-GYVRUONCSA-N

Data: 3 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 3 hits for monomerid = 82529   

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 A1 (Rattus norvegicus (rat))	BDBM82529 (N6-Benzyladenosine-N1-oxide) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26| Show InChI InChI=1S/C17H21N5O5/c23-7-11-13(24)14(25)17(27-11)21-8-19-12-15(21)20-9-22(26)16(12)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,16-18,23-26H,6-7H2/t11-,13-,14-,16?,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	864	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
ADORA3 (RAT)	BDBM82529 (N6-Benzyladenosine-N1-oxide) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26| Show InChI InChI=1S/C17H21N5O5/c23-7-11-13(24)14(25)17(27-11)21-8-19-12-15(21)20-9-22(26)16(12)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,16-18,23-26H,6-7H2/t11-,13-,14-,16?,17-/m1/s1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	7.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair
Adenosine Receptors A2a (A2a) (Rattus norvegicus (rat))	BDBM82529 (N6-Benzyladenosine-N1-oxide) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2C(NCc3ccccc3)N(O)C=Nc12 |r,c:26| Show InChI InChI=1S/C17H21N5O5/c23-7-11-13(24)14(25)17(27-11)21-8-19-12-15(21)20-9-22(26)16(12)18-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,16-18,23-26H,6-7H2/t11-,13-,14-,16?,17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	8.53E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes, Digestive and Kidney Diseases Curated by PDSP Ki Database									Mol Pharmacol 45: 1101-11 (1994) BindingDB Entry DOI: 10.7270/Q26Q1VR9
					More data for this Ligand-Target Pair