Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50038214   

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 synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373142 (CHEMBL428787) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc5ccccc5c4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C26H28N4O2/c1-26(2,3)20-10-11-23-22(13-20)24(29-32-23)25(31)28-21-14-27-30(16-21)15-17-8-9-18-6-4-5-7-19(18)12-17/h4-9,12,14,16,20H,10-11,13,15H2,1-3H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373146 (CHEMBL408197) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H26N4O2/c1-22(2,3)16-9-10-19-18(11-16)20(25-28-19)21(27)24-17-12-23-26(14-17)13-15-7-5-4-6-8-15/h4-8,12,14,16H,9-11,13H2,1-3H3,(H,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373148 (CHEMBL412059) Show SMILES Cc1ccccc1Cn1cc(NC(=O)c2noc3CCC(Cc23)C(C)(C)C)cn1 |w:20.25| Show InChI InChI=1S/C23H28N4O2/c1-15-7-5-6-8-16(15)13-27-14-18(12-24-27)25-22(28)21-19-11-17(23(2,3)4)9-10-20(19)29-26-21/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373140 (CHEMBL261486) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4F)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H24F2N4O2/c1-22(2,3)14-5-7-19-17(8-14)20(27-30-19)21(29)26-16-10-25-28(12-16)11-13-4-6-15(23)9-18(13)24/h4,6,9-10,12,14H,5,7-8,11H2,1-3H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373136 (CHEMBL438202) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCCc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C31H35N5O3/c1-31(2,3)24-13-14-27-26(17-24)28(35-39-27)30(38)34-25-18-33-36(20-25)19-22-9-11-23(12-10-22)29(37)32-16-15-21-7-5-4-6-8-21/h4-12,18,20,24H,13-17,19H2,1-3H3,(H,32,37)(H,34,38)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373145 (CHEMBL409940) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4Br)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25BrN4O2/c1-22(2,3)15-8-9-19-17(10-15)20(26-29-19)21(28)25-16-11-24-27(13-16)12-14-6-4-5-7-18(14)23/h4-7,11,13,15H,8-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373144 (CHEMBL258966) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25ClN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373147 (CHEMBL259507) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25FN4O2/c1-22(2,3)15-6-9-19-18(10-15)20(26-29-19)21(28)25-17-11-24-27(13-17)12-14-4-7-16(23)8-5-14/h4-5,7-8,11,13,15H,6,9-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373141 (CHEMBL261487) Show SMILES COC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:21.25| Show InChI InChI=1S/C24H28N4O4/c1-24(2,3)17-9-10-20-19(11-17)21(27-32-20)22(29)26-18-12-25-28(14-18)13-15-5-7-16(8-6-15)23(30)31-4/h5-8,12,14,17H,9-11,13H2,1-4H3,(H,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373143 (CHEMBL260779) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccccc4I)c3)c2C1 |w:4.3| Show InChI InChI=1S/C22H25IN4O2/c1-22(2,3)15-8-9-19-17(10-15)20(26-29-19)21(28)25-16-11-24-27(13-16)12-14-6-4-5-7-18(14)23/h4-7,11,13,15H,8-10,12H2,1-3H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373137 (CHEMBL261734) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(=O)NCc4ccccc4)c3)c2C1 |w:4.3| Show InChI InChI=1S/C30H33N5O3/c1-30(2,3)23-13-14-26-25(15-23)27(34-38-26)29(37)33-24-17-32-35(19-24)18-21-9-11-22(12-10-21)28(36)31-16-20-7-5-4-6-8-20/h4-12,17,19,23H,13-16,18H2,1-3H3,(H,31,36)(H,33,37)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373138 (CHEMBL410040) Show SMILES CC(C)(C)OC(=O)c1ccc(Cn2cc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)cn2)cc1 |w:24.28| Show InChI InChI=1S/C27H34N4O4/c1-26(2,3)19-11-12-22-21(13-19)23(30-35-22)24(32)29-20-14-28-31(16-20)15-17-7-9-18(10-8-17)25(33)34-27(4,5)6/h7-10,14,16,19H,11-13,15H2,1-6H3,(H,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373139 (CHEMBL409299) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cnn(Cc4ccc(cc4)C(O)=O)c3)c2C1 |w:4.3| Show InChI InChI=1S/C23H26N4O4/c1-23(2,3)16-8-9-19-18(10-16)20(26-31-19)21(28)25-17-11-24-27(13-17)12-14-4-6-15(7-5-14)22(29)30/h4-7,11,13,16H,8-10,12H2,1-3H3,(H,25,28)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373135 (CHEMBL446201) Show SMILES COc1ccc(Cc2noc(NC(=O)c3noc4CCC(Cc34)C(C)(C)C)c2C(N)=O)cc1 |w:20.24| Show InChI InChI=1S/C24H28N4O5/c1-24(2,3)14-7-10-18-16(12-14)20(28-32-18)22(30)26-23-19(21(25)29)17(27-33-23)11-13-5-8-15(31-4)9-6-13/h5-6,8-9,14H,7,10-12H2,1-4H3,(H2,25,29)(H,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50373134 (CHEMBL260609) Show SMILES CC(C)(C)C1CCc2onc(C(=O)Nc3cn[nH]c3)c2C1 |w:4.3| Show InChI InChI=1S/C15H20N4O2/c1-15(2,3)9-4-5-12-11(6-9)13(19-21-12)14(20)18-10-7-16-17-8-10/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase				J Med Chem 51: 1999-2002 (2008) Article DOI: 10.1021/jm701372r BindingDB Entry DOI: 10.7270/Q2028SD7
					More data for this Ligand-Target Pair