Compile Data Set for Download or QSAR

Found 14 hits of ic50 for UniProtKB: P00817   

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
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205472 (PPiase inhibitor, 16) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-3-5-19-34(20-6-4-2)28-30-27(31-29(32-28)35-21-12-7-8-13-22-35)26-17-14-23-33(26)24-18-25-15-10-9-11-16-25/h9-11,14-17,23H,3-8,12-13,18-22,24H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.79E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205473 (PPiase inhibitor, 17) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1CCCc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C30H44N6/c1-3-5-20-35(21-6-4-2)29-31-28(32-30(33-29)36-22-12-7-8-13-23-36)27-19-15-25-34(27)24-14-18-26-16-10-9-11-17-26/h9-11,15-17,19,25H,3-8,12-14,18,20-24H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.93E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205469 (PPiase inhibitor, 13) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C27H38N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h9-11,14-17,22H,3-8,12-13,18-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205474 (PPiase inhibitor, 18) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1-c1cc(C)cc(C)c1)N1CCCCCC1 Show InChI InChI=1S/C29H42N6/c1-5-7-15-33(16-8-6-2)28-30-27(31-29(32-28)34-17-11-9-10-12-18-34)26-14-13-19-35(26)25-21-23(3)20-24(4)22-25/h13-14,19-22H,5-12,15-18H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.28E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205464 (PPiase inhibitor, 1) Show SMILES C1CN1c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CC1 Show InChI InChI=1S/C17H16N6/c1-2-5-13(6-3-1)23-8-4-7-14(23)15-18-16(21-9-10-21)20-17(19-15)22-11-12-22/h1-8H,9-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.55E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205470 (PPiase inhibitor, 14) Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C31H46N6/c1-3-5-7-14-22-35(23-15-8-6-4-2)30-32-29(33-31(34-30)36-24-16-9-10-17-25-36)28-21-18-26-37(28)27-19-12-11-13-20-27/h11-13,18-21,26H,3-10,14-17,22-25H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205475 (PPiase inhibitor, 19) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1C1CCCCC1)N1CCCCCC1 Show InChI InChI=1S/C27H44N6/c1-3-5-18-31(19-6-4-2)26-28-25(29-27(30-26)32-20-12-7-8-13-21-32)24-17-14-22-33(24)23-15-10-9-11-16-23/h14,17,22-23H,3-13,15-16,18-21H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.18E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205466 (PPiase inhibitor, 9) Show SMILES C1CCCN(CC1)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C25H32N6/c1-2-9-17-29(16-8-1)24-26-23(27-25(28-24)30-18-10-3-4-11-19-30)22-15-12-20-31(22)21-13-6-5-7-14-21/h5-7,12-15,20H,1-4,8-11,16-19H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.55E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205477 (PPiase inhibitor, 21) Show SMILES Cc1cc(C)cc(c1)-n1cccc1-c1nc(nc(n1)N1CCCCCC1)N1CCCCCC1 Show InChI InChI=1S/C27H36N6/c1-21-18-22(2)20-23(19-21)33-17-11-12-24(33)25-28-26(31-13-7-3-4-8-14-31)30-27(29-25)32-15-9-5-6-10-16-32/h11-12,17-20H,3-10,13-16H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205471 (PPiase inhibitor, 15) Show SMILES CCCCN(CCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C28H40N6/c1-3-5-18-32(19-6-4-2)27-29-26(30-28(31-27)33-20-12-7-8-13-21-33)25-17-14-22-34(25)23-24-15-10-9-11-16-24/h9-11,14-17,22H,3-8,12-13,18-21,23H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205467 (PPiase inhibitor, 11) Show SMILES CCCCN(CCCC)c1nc(Cl)nc(n1)-c1cccn1-c1ccccc1 Show InChI InChI=1S/C21H26ClN5/c1-3-5-14-26(15-6-4-2)21-24-19(23-20(22)25-21)18-13-10-16-27(18)17-11-8-7-9-12-17/h7-13,16H,3-6,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205465 (PPiase inhibitor, 6) Show SMILES CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N(C)C Show InChI InChI=1S/C17H20N6/c1-21(2)16-18-15(19-17(20-16)22(3)4)14-11-8-12-23(14)13-9-6-5-7-10-13/h5-12H,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205476 (PPiase inhibitor, 20) Show SMILES CCCCCCN(CCCCCC)c1nc(nc(n1)-c1cccn1Cc1ccccc1)N(CCCC)CCCC Show InChI InChI=1S/C34H54N6/c1-5-9-13-18-26-39(27-19-14-10-6-2)34-36-32(35-33(37-34)38(24-11-7-3)25-12-8-4)31-23-20-28-40(31)29-30-21-16-15-17-22-30/h15-17,20-23,28H,5-14,18-19,24-27,29H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair
Inorganic pyrophosphatase (Saccharomyces cerevisiae (Yeast))	BDBM205468 (PPiase inhibitor, 12) Show SMILES CN(C)c1nc(nc(n1)-c1cccn1-c1ccccc1)N1CCCCCC1 Show InChI InChI=1S/C21H26N6/c1-25(2)20-22-19(23-21(24-20)26-14-8-3-4-9-15-26)18-13-10-16-27(18)17-11-6-5-7-12-17/h5-7,10-13,16H,3-4,8-9,14-15H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>6.00E+5	n/a	n/a	n/a	n/a	7.5	25
University of Kentucky					Assay Description The compounds were first mixed with tetrasodium PPi (final concentration of 100 μM) at concentrations specified in the text in the reaction buff...				ACS Chem Biol 11: 3084-3092 (2016) Article DOI: 10.1021/acschembio.6b00510 BindingDB Entry DOI: 10.7270/Q2GF0SBF
					More data for this Ligand-Target Pair