BDBM25395 (2R,3R,4S,5R)-2-{6-[(2-{[2-(3-amino-4-hydroxyphenyl)-2-hydroxyethyl]amino}ethyl)amino]-9H-purin-9-yl}-5-(hydroxymethyl)oxolane-3,4-diol::Bivalent derivative, 12b

SMILES Nc1cc(ccc1O)C(O)CNCCNc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=RPMDHKHPAGEKMG-UEXBNONGSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25395   

TargetAdenosine receptor A1(Homo sapiens (Human))
Monash University

LigandPNGBDBM25395((2R,3R,4S,5R)-2-{6-[(2-{[2-(3-amino-4-hydroxypheny...)
Affinity DataKi:  2.75E+3nM ΔG°:  -7.50kcal/molepH: 7.4 T: 2°CAssay 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...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetBeta-2 adrenergic receptor(Homo sapiens (Human))
Monash University

LigandPNGBDBM25395((2R,3R,4S,5R)-2-{6-[(2-{[2-(3-amino-4-hydroxypheny...)
Affinity DataKi: >1.00E+4nM ΔG°: >-6.75kcal/molepH: 7.4 T: 2°CAssay Description:The displacement of [125I]-(-)iodopindolol binding from the beta2AR was determined using DDT1 MF-2 cell membranes. Nonspecific binding was determined...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed