BDBM50001103 (2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic acid::(PMEA)[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid::9-(2-(phosphonomethoxy)ethyl)adenine::9-[(2-phosphonylmethoxy)ethyl]adenine::9-[2-(phosphonomethoxy)ethyl]adenine::9-[2-phosphonomethoxyethyl]adenine::9-[3-(Phosphonomethoxy)ethyl]adenine (PMEA)::ADEFOVIR::CHEMBL484::GS-0393::US10071110, Compound Adefovir::[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid::[2-(6-Amino-purin-9-yl)-ethoxymethyl]-phosphonic acid(PMEA)::[2-(6-amino-9H-purin-9-yl)ethoxy]methylphosphonic acid::{[2-(6-AMINO-9H-PURIN-9-YL)ETHOXY]METHYL}PHOSPHONIC ACID

SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12

InChI Key InChIKey=SUPKOOSCJHTBAH-UHFFFAOYSA-N

Data  2 KI  2 IC50  9 EC50

PDB links: 1 PDB ID matches this monomer.

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 13 hits for monomerid = 50001103   

TargetAdenosine deaminase(Bos taurus (bovine))
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataKi: >8.00E+5nMAssay Description:Inhibitory activity against adenosine deaminaseMore data for this Ligand-Target Pair
TargetPhosphoribosyl pyrophosphate synthase-associated protein 2(Homo sapiens (Human))
Academia Sinica

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataKi:  3.00E+6nMAssay Description:Inhibitory activity against PRPP synthetaseMore data for this Ligand-Target Pair
TargetHIV-1 protease(Human immunodeficiency virus)
The Regents of the University of California

US Patent
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  1.60E+4nMAssay Description:Preliminary experiments in the inhibition of HIV-1 replication by invention compounds were performed as follows. Drug assays were carried out as prev...More data for this Ligand-Target Pair
TargetCapsid scaffolding protein(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
The Regents of the University of California

US Patent
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  5.50E+4nMAssay Description:Antiviral assays for HCMV DNA were carried out by DNA hybridization as reported by Dankner, W. M., Scholl, D., Stanat, S. C., Martin, M., Souke, R. L...More data for this Ligand-Target Pair
TargetSolute carrier family 22 member 6(Homo sapiens (Human))
Gilead Sciences

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataIC50: 2.80E+4nMAssay Description:TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cellsMore data for this Ligand-Target Pair
TargetThymidine kinase(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  4.75E+4nMAssay Description:Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strainMore data for this Ligand-Target Pair
TargetThymidine kinase(Human herpesvirus 3)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  6.58E+4nMAssay Description:Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strainMore data for this Ligand-Target Pair
TargetThymidine kinase(Human herpesvirus 3)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  3.11E+4nMAssay Description:Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strainMore data for this Ligand-Target Pair
TargetThymidine kinase(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  1.83E+4nMAssay Description:Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strainMore data for this Ligand-Target Pair
TargetThymidine kinase(Human herpesvirus 3)
Academy of Sciences of the Czech Republic

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  1.97E+4nMAssay Description:Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strainMore data for this Ligand-Target Pair
TargetFibroblast growth factor receptor 1(Homo sapiens (Human))
The Regents of the University of California

US Patent
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  5.50E+4nMAssay Description:Subconfluent human lung fibroblast cells (MRC-5, American Type Culture Collection, Rockville, Md.) in 24-well plates were treated with drugs diluted ...More data for this Ligand-Target Pair
TargetRibose-phosphate pyrophosphokinase 1(Homo sapiens (Human))
TBA

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataIC50: 3.20E+6nMAssay Description:Inhibitory concentration against Escherichia coli Pyrophosphate Synthetase (PRPP)More data for this Ligand-Target Pair
In DepthDetails Article
TargetCapsid protein(Hepatitis B virus)
Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL
LigandPNGBDBM50001103((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...)
Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12
Show InChI InChI=1S/C8H12N5O4P/c9-7-6-8(11-3-10-7)13(4-12-6)1-2-17-5-18(14,15)16/h3-4H,1-2,5H2,(H2,9,10,11)(H2,14,15,16)
Affinity DataEC50:  83nMAssay Description:Inhibition of hepatitis B virus capsid assembly infected in human HepG2.215 cells assessed as reduction in viral DNA replication measured on day 7 by...More data for this Ligand-Target Pair