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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::[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  1 IC50

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 3 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)
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PubMed
>8.00E+5n/an/an/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against adenosine deaminase


Citation and Details
More data for this
Ligand-Target Pair
Phosphoribosyl pyrophosphate synthetase-associated protein 2


(Homo sapiens)
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)
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PubMed
3.00E+6n/an/an/an/an/an/an/an/a



Institute of Chemistry

Curated by ChEMBL


Assay Description
Inhibitory activity against PRPP synthetase


Citation and Details
More data for this
Ligand-Target Pair
Ribose-phosphate pyrophosphokinase I


(Homo sapiens)
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)
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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)

More data for this
Ligand-Target Pair