Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 347.2 BDBM11940Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inositol monophosphatase 1 (Bos taurus)	BDBM11940 (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article	n/a	n/a	1.30E+6	n/a	n/a	n/a	n/a	n/a	n/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) Article DOI: 10.1016/S0960-894X(01)80988-4 BindingDB Entry DOI: 10.7270/Q2ZS2WFK
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM11940 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	490	n/a	n/a	n/a	n/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) Article DOI: 10.1021/jm3004834 BindingDB Entry DOI: 10.7270/Q21J9BX3
					More data for this Ligand-Target Pair

Activity Spreadsheet -- ITC Data from BindingDB (change energy unit to kcal/mol)

Found 1 hit in this search

Cell (A)	Syringe (B)	Cell Links	Syringe Links	Cell + Syr Links	ΔG° kJ/mole	-TΔS° kJ/mole	ΔH° kJ/mole	log K	pH	Temp °C
Cytochrome P450 Reductase (CPR) (Homo sapiens (Human))	BDBM11940 (2-AMP | 2-Adenylic acid | Adenosine 2-monophosphat...)	DrugBank GoogleScholar KEGG PDB	CHEBI KEGG MMDB PC cid PC sid PDB		-29.3	28.8	-58.5	5.67	7	25
University of Leicester					Biochemistry 45: 1421-34 (2006)