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
Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
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Adenosine deaminase (Bos taurus (bovine)) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | >8.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemistry Curated by ChEMBL | Assay Description Inhibitory activity against adenosine deaminase | J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Phosphoribosyl pyrophosphate synthetase-associated protein 2 (Homo sapiens (Human)) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | 3.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Chemistry Curated by ChEMBL | Assay Description Inhibitory activity against PRPP synthetase | J Med Chem 44: 3710-20 (2001) BindingDB Entry DOI: 10.7270/Q2G44R0Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 protease (Human immunodeficiency virus) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | n/a | n/a | 1.60E+4 | n/a | n/a | n/a | n/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 | |||||||||||
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Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/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 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 2.80E+4 | n/a | n/a | n/a | n/a | n/a | n/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) Article DOI: 10.1006/abio.2000.4633 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 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 4.75E+4 | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 3) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 6.58E+4 | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 3) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 3.11E+4 | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm9811256 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 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.83E+4 | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thymidine kinase (Human herpesvirus 3) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 1.97E+4 | n/a | n/a | n/a | n/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) Article DOI: 10.1021/jm9811256 BindingDB Entry DOI: 10.7270/Q2CF9ST6 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fibroblast growth factor receptor 1 (Homo sapiens (Human)) | BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | US Patent | n/a | n/a | n/a | n/a | 5.50E+4 | n/a | n/a | n/a | n/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 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article | n/a | n/a | 3.20E+6 | n/a | n/a | n/a | n/a | n/a | n/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 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | n/a | n/a | 83 | n/a | n/a | n/a | n/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) Article DOI: 10.1016/j.bmc.2016.12.017 BindingDB Entry DOI: 10.7270/Q2ZC85F1 | |||||||||||
More data for this Ligand-Target Pair |