Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50076457'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50076457 (CHEMBL42554 | [5-(6-Amino-purin-9-yl)-3-phosphonoo...) Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COCP(O)(O)=O)O1 Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(25-27(20,21)22)7(24-8)2-23-5-26(17,18)19/h3-4,6-8H,1-2,5H2,(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	1.96E+4	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)	BDBM50076457 (CHEMBL42554 | [5-(6-Amino-purin-9-yl)-3-phosphonoo...) Show SMILES Nc1ncnc2n(cnc12)C1CC(OP(O)(O)=O)C(COCP(O)(O)=O)O1 Show InChI InChI=1S/C11H17N5O9P2/c12-10-9-11(14-3-13-10)16(4-15-9)8-1-6(25-27(20,21)22)7(24-8)2-23-5-26(17,18)19/h3-4,6-8H,1-2,5H2,(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	2.77E+4	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