BindingDB logo
myBDB logout

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 or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50001103   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Adenosine deaminase


(Bos taurus (bovine))
BDBM50001103
PNG
((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)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
>8.00E+5n/an/an/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase


J Med Chem 44: 3710-20 (2001)


Article DOI: 10.1021/jm010216r
BindingDB Entry DOI: 10.7270/Q2G44R0Z
More data for this
Ligand-Target Pair
Phosphoribosyl pyrophosphate synthetase-associated protein 2


(Homo sapiens (Human))
BDBM50001103
PNG
((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)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
3.00E+6n/an/an/an/an/an/an/an/a



Academia Sinica

Curated by ChEMBL


Assay Description
Inhibitory activity against PRPP synthetase


J Med Chem 44: 3710-20 (2001)


Article DOI: 10.1021/jm010216r
BindingDB Entry DOI: 10.7270/Q2G44R0Z
More data for this
Ligand-Target Pair
HIV-1 protease


(Human immunodeficiency virus)
BDBM50001103
PNG
((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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 1.60E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Preliminary experiments in the inhibition of HIV-1 replication by invention compounds were performed as follows. Drug assays were carried out as prev...


US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair
Human herpes virus 5 capsid protein P40


(Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)
BDBM50001103
PNG
((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)
PDB
MMDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 5.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay 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...


US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair
Solute carrier family 22 member 6


(Homo sapiens (Human))
BDBM50001103
PNG
((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)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of 6-Carboxyfluorescein uptake in OAT1-expressing CHO cells


Anal Biochem 283: 49-55 (2000)


BindingDB Entry DOI: 10.7270/Q2DR2ZC6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50001103
PNG
((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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 4.75E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of herpes simplex virus type 1 thymidine kinase (HSV-1 TK-) B2006 strain


J Med Chem 42: 2064-86 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50001103
PNG
((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)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 6.58E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibition of varicella zoster virus thymidine kinase (VZV TK+) YS/R strain


J Med Chem 42: 2064-86 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50001103
PNG
((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)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 3.11E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) OKA strain


J Med Chem 42: 2064-86 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 1 (strain SC16) (HHV-1) (Human h...)
BDBM50001103
PNG
((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)
PDB

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 1.83E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against herpes simplex virus type 1 (HSV-1) thymidine kinase (TK) VMW 1837 strain


J Med Chem 42: 2064-86 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Thymidine kinase


(Human herpesvirus 3)
BDBM50001103
PNG
((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)
UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 1.97E+4n/an/an/an/a



Academy of Sciences of the Czech Republic

Curated by ChEMBL


Assay Description
Inhibitory activity against varicella zoster virus thymidine kinase (VZV TK+) YS strain


J Med Chem 42: 2064-86 (1999)


BindingDB Entry DOI: 10.7270/Q2CF9ST6
More data for this
Ligand-Target Pair
Fibroblast growth factor receptor 1


(Homo sapiens (Human))
BDBM50001103
PNG
((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)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

US Patent
n/an/an/an/a 5.50E+4n/an/an/an/a



The Regents of the University of California

US Patent


Assay Description
Subconfluent human lung fibroblast cells (MRC-5, American Type Culture Collection, Rockville, Md.) in 24-well plates were treated with drugs diluted ...


US Patent US10071110 (2018)


BindingDB Entry DOI: 10.7270/Q2NS0WX9
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase I


(Homo sapiens (Human))
BDBM50001103
PNG
((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)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
n/an/a 3.20E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory concentration against Escherichia coli Pyrophosphate Synthetase (PRPP)


Bioorg Med Chem Lett 2: 1483-1488 (1992)


Article DOI: 10.1016/S0960-894X(00)80413-8
BindingDB Entry DOI: 10.7270/Q2SN09FV
More data for this
Ligand-Target Pair
Core antigen


(Hepatitis B virus)
BDBM50001103
PNG
((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)
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
Purchase

CHEMBL
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

PubMed
n/an/an/an/a 83n/an/an/an/a



Sunshine Lake Pharma Co., Ltd

Curated by ChEMBL


Assay 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...


Bioorg Med Chem 25: 1042-1056 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC85F1
More data for this
Ligand-Target Pair