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 c1nc(c2c(n1)n(cn2)[C@@H]3C=C([C@H]([C@H]3O)O)CO)N

InChI Key InChIKey=XUGWUUDOWNZAGW-UHFFFAOYSA-N

Data  5 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50006222   

TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
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 Depth
Date in BDB:
2/10/2015
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 890nMAssay Description:In vitro inhibitory activity against recombinant S-adenosyl-L-homocysteine hydrolase obtained from human placentaMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
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 Depth
Date in BDB:
10/21/2016
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 900nMAssay Description:Inhibition of S-adenosyl-L-homocysteine hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2010
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 870nMAssay Description:Inhibition of human placental AdoHcy hydrolase expressed in Escherichia coli JM109More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/23/2011
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 7.20nMAssay Description:Tested for inhibitory concentration against S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2012
Entry Details Article

TargetAdenosylhomocysteinase(Mouse)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
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 Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 15.2nMAssay Description:Inhibitory effect against S-adenosyl-L-homocysteine hydrolase of rabbit erythrocyte.More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataIC50: 15.2nMAssay Description:Inhibitory activity against S-adenosyl-L-homocysteine hydrolase from rabbit erythrocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/21/2020
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Mouse)
University of Kansas

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataKi:  3nMAssay Description:Binding affinity against L929 cells AdoHcy hydrolase activityMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataKi:  3.80nMAssay Description:Inhibitory activity against bovine liver S-adenosyl-L-homocysteine hydrolase (AdoHcy) rate of inactivation by NpcAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataKi:  3.80nMAssay Description:Evaluated for the 50% inhibition of bovine-liver S-Adenosyl-homocysteine (AdoHcy) hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2012
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
Affinity DataKi:  3.80nMAssay Description:Time course of inactivation of bovine liver S-adenosyl-homocysteine hydrolaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/19/2013
Entry Details Article
PubMed
TargetAdenosylhomocysteinase(Rat)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50006222(CHEMBL8771 | (neplanocinA)5-(6-Amino-purin-9-yl)-3...)
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 Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed