Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with Target = 'Pantothenate kinase' AND taxid = 83332   

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
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188493 (Triazole 1e) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188489 (Triazole 1a) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188495 (Biaryl 2a) Show SMILES OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188495 (Biaryl 2a) Show SMILES OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188492 (Triazole 1d) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C Show InChI InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188491 (Triazole 1c) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188496 (Biaryl 2b) Show SMILES NC(=O)COc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H25N5O2/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(27)31)15-22(23)17-29-11-13-30(14-12-29)24-3-1-2-10-28-24/h1-10,15H,11-14,17-18H2,(H2,27,31)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188493 (Triazole 1e) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188494 (Triazole 1f) Show SMILES CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188490 (Triazole 1b) Show SMILES CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188492 (Triazole 1d) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C Show InChI InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188489 (Triazole 1a) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188491 (Triazole 1c) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188490 (Triazole 1b) Show SMILES CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188494 (Triazole 1f) Show SMILES CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)