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BDBM11940 2-AMP::2-Adenylic acid::Adenosine 2-monophosphate::{[(2R,3R,4R,5R)-2-(6-amino-9H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl]oxy}phosphonic acid

SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O

InChI Key: InChIKey=QDFHPFSBQFLLSW-KQYNXXCUSA-N

Data: 1 IC50  1 EC50  1 ITC

PDB links: 19 PDB IDs match 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 2 hits for monomerid = 11940   
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 receptor A1


(Homo sapiens (human))
BDBM11940
PNG
(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
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PC sid
PDB
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Similars

Article
PubMed
n/an/an/an/a 490n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins ...


J Med Chem 55: 6467-77 (2012)

More data for this
Ligand-Target Pair
Inositol-1(or 4)-monophosphatase 1


(Bos taurus)
BDBM11940
PNG
(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1OP(O)(O)=O
Show InChI InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(22-23(18,19)20)6(17)4(1-16)21-10/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
PDB
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Article
n/an/a 1.30E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...


Bioorg Med Chem Lett 3: 1925-1930 (1993)

More data for this
Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 11940
Cell (A)Syringe (B)Cell
Links
Syringe
Links
Cell + Syr
Links
ΔG°
kcal/mole
-TΔS°
kcal/mole
ΔH°
kcal/mole
log KpHTemp
°C
Cytochrome P450 Reductase (CPR)

(Homo sapiens (human))
BDBM11940
JPEG
(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
GoogleScholar
PDB
CHEBI
KEGG
MMDB
PC cid
PC sid
PDB
-6.996.89-14.05.67725



University of Leicester





Biochemistry 45: 1421-34 (2006)