BDBM50104026 CHEMBL320924::Phosphoric acid mono-[3-(6-methylamino-purin-9-yl)-2-phosphonooxymethyl-propyl] ester

SMILES: CNc1ncnc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12

InChI Key: InChIKey=MDQIDHFIWVGBNJ-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50104026   

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
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50104026 (CHEMBL320924 | Phosphoric acid mono-[3-(6-methylam...) Show SMILES CNc1ncnc2n(CC(COP(O)(O)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C10H17N5O8P2/c1-11-9-8-10(13-5-12-9)15(6-14-8)2-7(3-22-24(16,17)18)4-23-25(19,20)21/h5-7H,2-4H2,1H3,(H,11,12,13)(H2,16,17,18)(H2,19,20,21)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Inhibitory concentration against P2Y1 receptor in turkey erythrocyte membranes				J Med Chem 44: 3092-108 (2001) BindingDB Entry DOI: 10.7270/Q20864KX
					More data for this Ligand-Target Pair