Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'P2Y purinoceptor 1' and Ligand = 'BDBM50409486'   

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 (Homo sapiens (Human))	BDBM50409486 (CHEMBL2111533) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Measure of Agonist Potency at human P2Y purinoceptor 1 (hP2Y1) stably expressed in 131N1 astrocytoma cell				J Med Chem 45: 208-18 (2001) BindingDB Entry DOI: 10.7270/Q2JS9R58
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Homo sapiens (Human))	BDBM50409486 (CHEMBL2111533) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Measure of Agonist Potency at human P2Y purinoceptor 1 (hP2Y1) stably expressed in 131N1 astrocytoma cell				J Med Chem 45: 208-18 (2001) BindingDB Entry DOI: 10.7270/Q2JS9R58
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50409486 (CHEMBL2111533) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell				J Med Chem 45: 208-18 (2001) BindingDB Entry DOI: 10.7270/Q2JS9R58
					More data for this Ligand-Target Pair
P2Y purinoceptor 1 (Meleagris gallopavo)	BDBM50409486 (CHEMBL2111533) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)OP(O)(O)=O)[C@@H](O)[C@H]1O Show InChI InChI=1S/C12H18N5O12P3/c13-10-6-11(15-3-14-10)17(4-16-6)7-5-1-12(5,9(19)8(7)18)2-27-31(23,24)29-32(25,26)28-30(20,21)22/h3-5,7-9,18-19H,1-2H2,(H,23,24)(H,25,26)(H2,13,14,15)(H2,20,21,22)/t5-,7-,8+,9+,12+/m1/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
National Institute of Diabetes Curated by ChEMBL					Assay Description Measure of Agonist Potency at turkey Purinoceptor P2Y1 stably expressed in 131N1 astrocytoma cell				J Med Chem 45: 208-18 (2001) BindingDB Entry DOI: 10.7270/Q2JS9R58
					More data for this Ligand-Target Pair