BDBM50076459 CHEMBL43868::Phosphoric acid mono-[5-(6-amino-2-ethylsulfanyl-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-furan-3-yl] ester

SMILES: CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1

InChI Key: InChIKey=WYMMGKNLNDNKTC-UHFFFAOYSA-N

Data: 1 IC50  1 EC50

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 2 hits for monomerid = 50076459   

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)	BDBM50076459 (CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...) Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1 Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro antagonist activity at P2Y1 receptor in turkey erythrocyte membranes.				J Med Chem 42: 1625-38 (1999) Article DOI: 10.1021/jm980657j BindingDB Entry DOI: 10.7270/Q28C9WZM
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50076459 (CHEMBL43868 | Phosphoric acid mono-[5-(6-amino-2-e...) Show SMILES CCSc1nc(N)c2ncn(C3CC(OP(O)(O)=O)C(COP(O)(O)=O)O3)c2n1 Show InChI InChI=1S/C12H19N5O9P2S/c1-2-29-12-15-10(13)9-11(16-12)17(5-14-9)8-3-6(26-28(21,22)23)7(25-8)4-24-27(18,19)20/h5-8H,2-4H2,1H3,(H2,13,15,16)(H2,18,19,20)(H2,21,22,23)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Concentration at which 50% of the maximal effect (stimulation of PLC at P2Y1 receptor in the turkey erythrocyte membranes) is reached				J Med Chem 42: 1625-38 (1999) Article DOI: 10.1021/jm980657j BindingDB Entry DOI: 10.7270/Q28C9WZM
					More data for this Ligand-Target Pair