Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for entry = 50038925   

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 2 (Mus musculus)	BDBM50118213 (5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378134 (CHEMBL572657) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)CCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C8H15N2O11P3/c11-7-3-5-10(8(12)9-7)4-1-2-6-22(13,14)20-24(18,19)21-23(15,16)17/h3,5H,1-2,4,6H2,(H,13,14)(H,18,19)(H,9,11,12)(H2,15,16,17)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378133 (CHEMBL584184) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)CCCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H17N2O11P3/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-23(14,15)21-25(19,20)22-24(16,17)18/h4,6H,1-3,5,7H2,(H,14,15)(H,19,20)(H,10,12,13)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.66E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378128 (CHEMBL575653) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OCCCOCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C8H15N2O13P3/c11-7-2-3-10(8(12)9-7)6-20-4-1-5-21-25(16,17)23-26(18,19)22-24(13,14)15/h2-3H,1,4-6H2,(H,16,17)(H,18,19)(H,9,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.64E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378126 (CHEMBL572422) Show SMILES OP(O)(=O)OCCCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H15N2O6P/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-17-18(14,15)16/h4,6H,1-3,5,7H2,(H,10,12,13)(H2,14,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.67E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378130 (CHEMBL574076) Show SMILES OP(O)(=O)OCCCOCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C8H13N2O7P/c11-7-2-3-10(8(12)9-7)6-16-4-1-5-17-18(13,14)15/h2-3H,1,4-6H2,(H,9,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.38E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378132 (CHEMBL574529) Show SMILES OP(O)(=O)OP(O)(=O)CCCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H16N2O8P2/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-20(14,15)19-21(16,17)18/h4,6H,1-3,5,7H2,(H,14,15)(H,10,12,13)(H2,16,17,18)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378131 (CHEMBL575202) Show SMILES OP(O)(=O)OCCOCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C7H11N2O7P/c10-6-1-2-9(7(11)8-6)5-15-3-4-16-17(12,13)14/h1-2H,3-5H2,(H,8,10,11)(H2,12,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378127 (CHEMBL574998) Show SMILES OP(O)(=O)OCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C6H9N2O6P/c9-5-1-2-8(6(10)7-5)3-4-14-15(11,12)13/h1-2H,3-4H2,(H,7,9,10)(H2,11,12,13)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378124 (CHEMBL572897) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OCCCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C9H17N2O12P3/c12-8-4-6-11(9(13)10-8)5-2-1-3-7-21-25(17,18)23-26(19,20)22-24(14,15)16/h4,6H,1-3,5,7H2,(H,17,18)(H,19,20)(H,10,12,13)(H2,14,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378123 (CHEMBL582936) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)CCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C7H13N2O11P3/c10-6-2-4-9(7(11)8-6)3-1-5-21(12,13)19-23(17,18)20-22(14,15)16/h2,4H,1,3,5H2,(H,12,13)(H,17,18)(H,8,10,11)(H2,14,15,16)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378129 (CHEMBL575649) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OCCOCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C7H13N2O13P3/c10-6-1-2-9(7(11)8-6)5-19-3-4-20-24(15,16)22-25(17,18)21-23(12,13)14/h1-2H,3-5H2,(H,15,16)(H,17,18)(H,8,10,11)(H2,12,13,14)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 1 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50378125 (CHEMBL572655) Show SMILES OP(O)(=O)OP(O)(=O)OP(O)(=O)OCCCCn1ccc(=O)[nH]c1=O Show InChI InChI=1S/C8H15N2O12P3/c11-7-3-5-10(8(12)9-7)4-1-2-6-20-24(16,17)22-25(18,19)21-23(13,14)15/h3,5H,1-2,4,6H2,(H,16,17)(H,18,19)(H,9,11,12)(H2,13,14,15)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Antagonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as inhibition of 3 uM UTP-induced intracellular calcium releas...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 2 (Mus musculus)	BDBM50118213 (5'-UTP | CHEMBL336296 | H4utp | UTP | uridine 5'-(...) Show SMILES O[C@@H]1[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O[C@H]([C@@H]1O)n1ccc(=O)[nH]c1=O |r| Show InChI InChI=1S/C9H15N2O15P3/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Agonist activity at mouse P2Y2 receptor expressed in NG108-15 hybrid cells assessed as increase in intracellular calcium release by fluorescence assa...				Bioorg Med Chem 17: 5071-9 (2009) Article DOI: 10.1016/j.bmc.2009.05.062 BindingDB Entry DOI: 10.7270/Q29S1RZC
					More data for this Ligand-Target Pair