BDBM50162073 (S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)ethyl 2-amino-3-methylbutanoate::(S)-2-Amino-3-methyl-butyric acid 2-(2-amino-6-oxo-1,6-dihydro-purin-9-ylmethoxy)-ethyl ester::CHEMBL1349::VALACYCLOVIR

SMILES CC(C)[C@@H](C(=O)OCCOCn1cnc2c1N=C(NC2=O)N)N

InChI Key InChIKey=HDOVUKNUBWVHOX-UHFFFAOYSA-N

Data  9 KI  5 IC50

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50162073   

TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataIC50: 1.42E+6nMAssay Description:Inhibition of human PEPT1-mediated [3H]Gly-Sar uptake in human HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/2/2010
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataIC50: 4.31E+5nMAssay Description:Inhibitory concentration against [3H]glycylsarcosine uptake in HeLa cells expressing human Intestinal peptide transporter PepT1More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2012
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataIC50: 4.00E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataIC50: 3.40E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake, D-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataIC50: 1.10E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake, L-form (Gly-Sar: 20 uM) in PEPT1-expressing CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  4.08E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in Xenopus laevis oocytesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetSolute carrier family 15 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  2.20E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details
PubMed
TargetSolute carrier family 15 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  2.20E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details
PubMed
TargetSolute carrier family 15 member 1(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  2.50E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details
PubMed
TargetSolute carrier family 15 member 1(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  2.70E+6nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  4.90E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in Caco-2 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier family 15 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  3.90E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT2-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier family 15 member 2(Rat)
Kyoto University Hospital

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  1.70E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in SKPT cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed
TargetSolute carrier family 15 member 1(Human)
University of Michigan

Curated by ChEMBL
LigandPNGBDBM50162073((S)-2-((2-amino-6-oxo-3H-purin-9(6H)-yl)methoxy)et...)
Affinity DataKi:  7.40E+5nMAssay Description:TP_TRANSPORTER: inhibition of Gly-Sar uptake in PEPT1-expressing HeLa cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/30/2020
Entry Details Article
PubMed