BDBM50021776 2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one::2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-purin-6-one (ACV)::ACYCLOVIR::CHEMBL279075

SMILES Nc1nc2n(COCCO)cnc2c(=O)[nH]1

InChI Key InChIKey=MKUXAQIIEYXACX-UHFFFAOYSA-N

Data  3 KI  3 IC50  1 Kd

PDB links: 8 PDB IDs match this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50021776   

TargetThymidine kinase, cytosolic(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataKi:  4.50E+4nMAssay Description:Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -1More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPurine nucleoside phosphorylase(Human)
National Defense Medical Center

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataKi:  1.80E+5nMAssay Description:PNP activity in human RBCMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThymidine kinase, cytosolic(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataKi:  1.80E+5nMAssay Description:Compound was evaluated for Kinetic constant for viral thymidine kinase of Herpes simplex virus (HSV) -2More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThymidine kinase(CeHV-1)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataIC50:  1.00E+6nMAssay Description:Inhibition of Herpes B virus recombinant thymidine kinase-mediated [3H]TdR phosphorylationMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetThymidine kinase(HHV-2)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataIC50:  2.00E+5nMAssay Description:Inhibition of Herpes simplex virus 2 recombinant thymidine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed

TargetPurine nucleoside phosphorylase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Pontifical Catholic University of Rio Grande Do Sul

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataKd:  1.26E+4nMAssay Description:Binding affinity to Mycobacterium tuberculosis purine nucleoside phosphorylase by spectrophotometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)

TargetThymidine kinase(HHV-1)
Glsynthesis

Curated by ChEMBL
LigandPNGBDBM50021776(2-Amino-9-(2-hydroxy-ethoxymethyl)-5,9-dihydro-pur...)
Affinity DataIC50:  1.22E+5nMAssay Description:Inhibition of Herpes simplex virus 1 recombinant thymidine kinaseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMedPDB3D3D Structure (crystal)