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: CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)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)	Ligand	Target/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	pH	Temp °C
GTP:AMP phosphotransferase AK3, mitochondrial (Rattus norvegicus)	BDBM50027455 (CHEMBL3143592 | Phosphoric acid mono-[6-(6-amino-p...) Show SMILES CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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	PubMed	2.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory constant with Rat adenylate kinase III				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair
Adenylate kinase 2, mitochondrial (Rattus norvegicus)	BDBM50027455 (CHEMBL3143592 | Phosphoric acid mono-[6-(6-amino-p...) Show SMILES CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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	PubMed	2.70E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory constant with Rat adenylate kinase II isozyme				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair
Adenylate kinase isoenzyme 1 (Rattus norvegicus)	BDBM50027455 (CHEMBL3143592 | Phosphoric acid mono-[6-(6-amino-p...) Show SMILES CCC1O[C@@H]2[C@@H](COP(O)(O)=O)O[C@H]([C@@H]2O1)n1cnc2c(N)ncnc12 |r| 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	PubMed	6.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Competitive inhibitory constant with Rat adenylate kinase M isozyme				J Med Chem 25: 806-12 (1982) BindingDB Entry DOI: 10.7270/Q2765FWS
					More data for this Ligand-Target Pair