BDBM50006222 (1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::(neplanocinA)5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplanocin A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol (Neplonocin A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NP-A)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(NPA)::5-(6-Amino-purin-9-yl)-3-hydroxymethyl-cyclopent-3-ene-1,2-diol(neplanocin A)::CHEMBL8771::Neplanocin A

SMILES Nc1ncnc2n(cnc12)[C@@H]1C=C(CO)[C@@H](O)[C@H]1O

InChI Key InChIKey=XUGWUUDOWNZAGW-VDAHYXPESA-N

Data  5 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

  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 15 hits for monomerid = 50006222   

TargetAdenosylhomocysteinase(Mus musculus)
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataKi:  3nMAssay Description:Binding affinity of the compound was tested against L929 cells AdoHcy hydrolase activityMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataKi:  3.80nMAssay Description:Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataKi:  3.80nMAssay Description:Inhibitory activity of the compound against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcAMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataKi:  3.80nMAssay Description:Inhibition against bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Rattus norvegicus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataKi:  8.40nMAssay Description:Reversible inhibition of rat liver S- adenosyl-L-homocysteine hydrolase using SAH as substrate by spectrophotometric methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  7.20nMAssay Description:Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In DepthDetails Article
TargetAdenosylhomocysteinase(Mus musculus)
University Of South Florida

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  50nMAssay Description:Evaluated for the 50% inhibition of S-Adenosyl-homocysteine (AdoHcy) hydrolase L929 lysate from murine L-929 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  15.2nMAssay Description:Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  15.2nMAssay Description:Inhibitory activity against S-adenosyl-L-homocysteine hydrolase from rabbit erythrocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  900nMAssay Description:Inhibition of S-adenosyl-L-homocysteine hydrolaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  470nMAssay Description:Inhibition of recombinant human placental AdoHcy hydrolase expressed in Escherichia coli BL21 using AdoHcy as substrate preincubated for 10 mins foll...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  890nMAssay Description:In vitro inhibitory activity of the compound against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placentaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  10nMAssay Description:Inhibition of AHCY in human SH-SY5Y cells assessed as formation of homocysteine after 48 hrs by HPLC analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  1.5nMAssay Description:Inhibition of recombinant human AHCY using SAH as substrate assessed as formation of homocysteine after 10 minsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosylhomocysteinase(Homo sapiens (Human))
University Of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222((1S,2R,5R)-5-(6-Amino-purin-9-yl)-3-hydroxymethyl-...)
Affinity DataIC50:  870nMAssay Description:Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed