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BDBM50277972 CHEMBL519503::[5-(6-Amino-9-phenethyl-9H-purin-8-yl)-furan-2-yl]-phosphonic Acid

SMILES: Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O

InChI Key: InChIKey=DVUPMKJBTAEKFB-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50277972   
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
Fructose-1,6-bisphosphatase 1 (FBPase)


(Homo sapiens (Human))
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver FBPase expressed in Escherichia coli by spectrophotometry


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphatase


(Rattus norvegicus)
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rat liver FBPase


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Glycogen phosphorylase, muscle form


(Oryctolagus cuniculus (rabbit))
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>2.50E+5n/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle glycogen phosphorylase


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Adenosine kinase


(Homo sapiens (Human))
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant adenosine kinase expressed in Escherichia coli


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair
Adenylate kinase isoenzyme 1


(Oryctolagus cuniculus)
BDBM50277972
PNG
(CHEMBL519503 | [5-(6-Amino-9-phenethyl-9H-purin-8-...)
Show SMILES Nc1ncnc2n(CCc3ccccc3)c(nc12)-c1ccc(o1)P(O)(O)=O
Show InChI InChI=1S/C17H16N5O4P/c18-15-14-17(20-10-19-15)22(9-8-11-4-2-1-3-5-11)16(21-14)12-6-7-13(26-12)27(23,24)25/h1-7,10H,8-9H2,(H2,18,19,20)(H2,23,24,25)
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+5n/an/an/an/an/an/a



Metabasis Therapeutics, Inc.

Curated by ChEMBL


Assay Description
Inhibition of rabbit muscle adenylate kinase


J Med Chem 52: 2880-98 (2009)


Article DOI: 10.1021/jm900078f
BindingDB Entry DOI: 10.7270/Q2V40V20
More data for this
Ligand-Target Pair