BDBM50076474 CHEMBL416252::Phosphoric acid mono-[5-(6-amino-purin-9-yl)-2-phosphonooxymethyl-tetrahydro-pyran-3-yl] ester

SMILES: Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O

InChI Key: InChIKey=ATUACDJWYMPIOV-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50076474   

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)	BDBM50076474 (CHEMBL416252 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(25-27(20,21)22)8(23-2-6)3-24-26(17,18)19/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Evaluated for agonist activity against phospholipase C coupled P2Y purinoceptor 1 (P2Y1) of turkey erythrocytes				J Med Chem 45: 4057-93 (2002) BindingDB Entry DOI: 10.7270/Q2VX0H71
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50076474 (CHEMBL416252 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(25-27(20,21)22)8(23-2-6)3-24-26(17,18)19/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.99E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description In vitro stimulation of 2PY1 purinoceptor mediated phospholipase C (PLC) activity in Turkey Erythrocyte Ghosts				J Med Chem 43: 829-42 (2000) BindingDB Entry DOI: 10.7270/Q2474BJ3
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50076474 (CHEMBL416252 | Phosphoric acid mono-[5-(6-amino-pu...) Show SMILES Nc1ncnc2n(cnc12)C1COC(COP(O)(O)=O)C(C1)OP(O)(O)=O Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-4-13-10)16(5-15-9)6-1-7(25-27(20,21)22)8(23-2-6)3-24-26(17,18)19/h4-8H,1-3H2,(H2,12,13,14)(H2,17,18,19)(H2,20,21,22)	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	2.99E+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