BDBM50104023 CHEMBL274496::Phosphoric acid mono-[2-(2-chloro-6-methylamino-purin-9-ylmethyl)-3-phosphonooxymethyl-cyclopropylmethyl] ester

SMILES: CNc1nc(Cl)nc2n(CC3[C@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12

InChI Key: InChIKey=HXASCSAZFAJEGQ-YUMQZZPRSA-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 = 50104023   

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)	BDBM50104023 (CHEMBL274496 | Phosphoric acid mono-[2-(2-chloro-6...) Show SMILES CNc1nc(Cl)nc2n(CC3[C@H](COP(O)(O)=O)[C@H]3COP(O)(O)=O)cnc12 Show InChI InChI=1S/C12H18ClN5O8P2/c1-14-10-9-11(17-12(13)16-10)18(5-15-9)2-6-7(3-25-27(19,20)21)8(6)4-26-28(22,23)24/h5-8H,2-4H2,1H3,(H,14,16,17)(H2,19,20,21)(H2,22,23,24)/t7-,8-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.70E+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