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BDBM50027455 CHEMBL3143592::CHEMBL353011::Phosphoric acid mono-[6-(6-amino-purin-9-yl)-2-ethyl-tetrahydro-furo[3,4-d][1,3]dioxol-4-ylmethyl] ester

SMILES: CCC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12

InChI Key: InChIKey=PSICLEIHEAJVRK-UHFFFAOYSA-N

Data: 3 KI

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 = 50027455   
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
Adenylate kinase 3 alpha like 1


(Rattus norvegicus)
BDBM50027455
PNG
(CHEMBL3143592 | CHEMBL353011 | Phosphoric acid mon...)
Show SMILES CCC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N5O7P/c1-2-7-24-9-6(3-22-26(19,20)21)23-13(10(9)25-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13H,2-3H2,1H3,(H2,14,15,16)(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase III


J Med Chem 25: 806-12 (1982)


Article DOI: 10.1021/jm00349a008
BindingDB Entry DOI: 10.7270/Q2765FWS
More data for this
Ligand-Target Pair
Adenylate kinase 2


(Rattus norvegicus)
BDBM50027455
PNG
(CHEMBL3143592 | CHEMBL353011 | Phosphoric acid mon...)
Show SMILES CCC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N5O7P/c1-2-7-24-9-6(3-22-26(19,20)21)23-13(10(9)25-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13H,2-3H2,1H3,(H2,14,15,16)(H2,19,20,21)
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.70E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase II isozyme


J Med Chem 25: 806-12 (1982)


Article DOI: 10.1021/jm00349a008
BindingDB Entry DOI: 10.7270/Q2765FWS
More data for this
Ligand-Target Pair
Adenylate kinase 1


(Rattus norvegicus)
BDBM50027455
PNG
(CHEMBL3143592 | CHEMBL353011 | Phosphoric acid mon...)
Show SMILES CCC1OC2C(COP(O)(O)=O)OC(C2O1)n1cnc2c(N)ncnc12
Show InChI InChI=1S/C13H18N5O7P/c1-2-7-24-9-6(3-22-26(19,20)21)23-13(10(9)25-7)18-5-17-8-11(14)15-4-16-12(8)18/h4-7,9-10,13H,2-3H2,1H3,(H2,14,15,16)(H2,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.50E+6n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Competitive inhibitory constant with Rat adenylate kinase M isozyme


J Med Chem 25: 806-12 (1982)


Article DOI: 10.1021/jm00349a008
BindingDB Entry DOI: 10.7270/Q2765FWS
More data for this
Ligand-Target Pair