BDBM198126 (2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methylamino]purin-9-yl]-3,4-dihydroxy-N-methyloxolane-2-carboxamide::Cl-IBMECA

SMILES CNC(=O)C1OC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12

InChI Key InChIKey=IPSYPUKKXMNCNQ-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 198126   

TargetAdenosine receptor A3(Homo sapiens (Human))
Universit?? Di Napoli Federico Ii

LigandPNGBDBM198126((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...)
Affinity DataKi:  0.220nM ΔG°:  -13.2kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (90 ug) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 5 mM MgCl2, 1 mM EDTA, 2 un...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Universit?? Di Napoli Federico Ii

LigandPNGBDBM198126((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...)
Affinity DataKi:  401nM ΔG°:  -8.72kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (30 ug) were incubated at 25 °C for 90 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mm MgCl2, 2 units/mL ADA, ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Universit?? Di Napoli Federico Ii

LigandPNGBDBM198126((2S,3S,4R,5R)-5-[2-chloro-6-[(3-iodophenyl)methyla...)
Affinity DataKi:  890nM ΔG°:  -8.25kcal/molepH: 7.4 T: 2°CAssay Description:Aliquots of cell membranes (30 ug proteins) were incubated at 25 °C for 180 min in 500 uL of binding buffer (50 mM Tris-HCl, 2 mM MgCl2, 2 units/...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed