BDBM25397 (2R,3R,4S,5R)-2-{6-[(4-{[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino}butyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol::Bivalent derivative, 12d

SMILES: Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key: InChIKey=GOLWWZBJPUAEDB-SYDIUPFYSA-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 = 25397   

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 (Homo sapiens (Human))	BDBM25397 ((2R,3R,4S,5R)-2-{6-[(4-{[2-(3-amino-4-hydroxypheny...) Show SMILES Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H31N7O6/c23-13-7-12(3-4-14(13)31)15(32)8-24-5-1-2-6-25-20-17-21(27-10-26-20)29(11-28-17)22-19(34)18(33)16(9-30)35-22/h3-4,7,10-11,15-16,18-19,22,24,30-34H,1-2,5-6,8-9,23H2,(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.01E+3	-8.09	n/a	n/a	n/a	n/a	n/a	7.4	22
Monash University					Assay Description The displacement of [3H]DPCPX binding from the A1AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined in parallel ass...				J Med Chem 51: 6128-37 (2008) Article DOI: 10.1021/jm800613s BindingDB Entry DOI: 10.7270/Q26M3554
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM25397 ((2R,3R,4S,5R)-2-{6-[(4-{[2-(3-amino-4-hydroxypheny...) Show SMILES Nc1cc(ccc1O)C(O)CNCCCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O Show InChI InChI=1S/C22H31N7O6/c23-13-7-12(3-4-14(13)31)15(32)8-24-5-1-2-6-25-20-17-21(27-10-26-20)29(11-28-17)22-19(34)18(33)16(9-30)35-22/h3-4,7,10-11,15-16,18-19,22,24,30-34H,1-2,5-6,8-9,23H2,(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.31E+3	-7.24	n/a	n/a	n/a	n/a	n/a	7.4	22
Monash University					Assay Description The displacement of [125I]-(-)iodopindolol binding from the beta2AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined...				J Med Chem 51: 6128-37 (2008) Article DOI: 10.1021/jm800613s BindingDB Entry DOI: 10.7270/Q26M3554
					More data for this Ligand-Target Pair