BindingDB PrimarySearch

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.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 50001103
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Adenosine deaminase (Bos taurus (bovine))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
Institute of Chemistry Curated by ChEMBL					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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
Institute of Chemistry Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
The Regents of the University of California US Patent					More data for this Ligand-Target Pair
Human herpes virus 5 capsid protein P40 (Human cytomegalovirus (strain AD169) (HHV-5) (Huma...)	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
The Regents of the University of California US Patent					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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
Gilead Sciences Curated by ChEMBL					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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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 ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
The Regents of the University of California US Patent					More data for this Ligand-Target Pair
Ribose-phosphate pyrophosphokinase I (Homo sapiens (Human))	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Core antigen (Hepatitis B virus)	BDBM50001103 ((2-(6-amino-9H-purin-9-yl)ethoxy)methylphosphonic ...) Show SMILES Nc1ncnc2n(CCOCP(O)(O)=O)cnc12 Show InChI	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
Sunshine Lake Pharma Co., Ltd Curated by ChEMBL					More data for this Ligand-Target Pair