BDBM25396 Bivalent derivative, 12c::N-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-9H-purin-6-yl}amino)butyl]amino}-1-hydroxyethyl)-2-hydroxyphenyl]formamide

SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCNCC(O)c3ccc(O)c(NC=O)c3)ncnc12

InChI Key InChIKey=BUDKUWZRNIESPK-UHFFFAOYSA-N

Data  2 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 25396   

TargetBeta-2 adrenergic receptor(Human)
Monash University

LigandPNGBDBM25396(N-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hy...)
Affinity DataKi:  863nM ΔG°:  -8.18kcal/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 Depth
Date in BDB:
11/10/2008
Entry Details Article
PubMed
TargetAdenosine receptor A1(Human)
Monash University

LigandPNGBDBM25396(N-[5-(2-{[4-({9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hy...)
Affinity DataKi:  1.91E+3nM ΔG°:  -7.72kcal/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 Depth
Date in BDB:
11/10/2008
Entry Details Article
PubMed