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: 21 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 11940   

TargetAdenosine receptor A1(Homo sapiens (Human))
University of North Carolina at Chapel Hill

Curated by ChEMBL
LigandPNGBDBM11940(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
Affinity DataEC50:  490nMAssay Description:Agonist activity at human A1AR expressed in HEK293T/17 cells assessed as inhibition of isoproterenol-induced cAMP accumulation incubated for 10 mins ...More data for this Ligand-Target Pair
TargetInositol monophosphatase 1(Bos taurus)
TBA

Curated by ChEMBL
LigandPNGBDBM11940(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
Affinity DataIC50: 1.30E+6nMAssay Description:Tested for the inhibitory activity against bovine inositol monophosphatase by measuring concentration inhibiting the production of [14C]-inositol fro...More data for this Ligand-Target Pair
In DepthDetails Article

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 11940   

CellCytochrome P450 Reductase (CPR)(Homo sapiens (Human))
Merck Research Laboratories

SyringePNGBDBM11940(2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)
ITC DataΔG°: -6.99kcal/mole −TΔS°: 6.89kcal/mole ΔH°: -14.0kcal/mole logk: 4.70E+5
pH: 7.0 T: 25.00°C