BDBM50104027 Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonomethyl-propyl ester::Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-2-phosphonooxymethyl-propyl ester::CHEMBL320073

SMILES: CNc1nc(Cl)nc2n(CC(COC(C)=O)COP(O)(O)=O)cnc12

InChI Key: InChIKey=GRNDXUPUOYPZJB-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 = 50104027   

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)	BDBM50104027 (Acetic acid 3-(2-chloro-6-methylamino-purin-9-yl)-...) Show SMILES CNc1nc(Cl)nc2n(CC(COC(C)=O)COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H17ClN5O6P/c1-7(19)23-4-8(5-24-25(20,21)22)3-18-6-15-9-10(14-2)16-12(13)17-11(9)18/h6,8H,3-5H2,1-2H3,(H,14,16,17)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.76E+4	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