Compile Data Set for Download or QSAR

Found 12 hits of ki for UniProtKB: P9WIL5   

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
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50446676 (CHEMBL1230349) Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...				Bioorg Med Chem 22: 1726-35 (2014) Article DOI: 10.1016/j.bmc.2014.01.017 BindingDB Entry DOI: 10.7270/Q2Q81FJT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50400279 (CHEMBL2181057) Show SMILES CC(C)(C)C(=O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H22N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-10,15,23-24H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Pantothenate synthetase				J Med Chem 54: 915-29 (2011) Article DOI: 10.1021/jm101121s BindingDB Entry DOI: 10.7270/Q2NS0W23
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50400282 (CHEMBL2181060) Show SMILES CC(C)(C)C(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10-,11?,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Pantothenate synthetase				J Med Chem 54: 915-29 (2011) Article DOI: 10.1021/jm101121s BindingDB Entry DOI: 10.7270/Q2NS0W23
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50400281 (CHEMBL2181059) Show SMILES COCC(C)(C)C(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H26N6O9S/c1-17(2,5-30-3)12(26)15(27)22-33(28,29)31-4-8-10(24)11(25)16(32-8)23-7-21-9-13(18)19-6-20-14(9)23/h6-8,10-12,16,24-26H,4-5H2,1-3H3,(H,22,27)(H2,18,19,20)/t8-,10-,11-,12?,16-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Pantothenate synthetase				J Med Chem 54: 915-29 (2011) Article DOI: 10.1021/jm101121s BindingDB Entry DOI: 10.7270/Q2NS0W23
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50400280 (CHEMBL2181058) Show SMILES COCCC(O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C15H22N6O9S/c1-28-3-2-7(22)14(25)20-31(26,27)29-4-8-10(23)11(24)15(30-8)21-6-19-9-12(16)17-5-18-13(9)21/h5-8,10-11,15,22-24H,2-4H2,1H3,(H,20,25)(H2,16,17,18)/t7?,8-,10-,11-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Pantothenate synthetase				J Med Chem 54: 915-29 (2011) Article DOI: 10.1021/jm101121s BindingDB Entry DOI: 10.7270/Q2NS0W23
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50400283 (CHEMBL1230355) Show SMILES CC(C)(C)[C@@H](N)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H25N7O7S/c1-16(2,3)11(17)14(26)22-31(27,28)29-4-7-9(24)10(25)15(30-7)23-6-21-8-12(18)19-5-20-13(8)23/h5-7,9-11,15,24-25H,4,17H2,1-3H3,(H,22,26)(H2,18,19,20)/t7-,9-,10-,11+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis Pantothenate synthetase				J Med Chem 54: 915-29 (2011) Article DOI: 10.1021/jm101121s BindingDB Entry DOI: 10.7270/Q2NS0W23
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50446673 (CHEMBL3113591) Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1C[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C17H26N6O7S/c1-17(2,3)13(26)16(27)22-31(28,29)30-5-8-4-9(12(25)11(8)24)23-7-21-10-14(18)19-6-20-15(10)23/h6-9,11-13,24-26H,4-5H2,1-3H3,(H,22,27)(H2,18,19,20)/t8-,9-,11-,12+,13+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...				Bioorg Med Chem 22: 1726-35 (2014) Article DOI: 10.1016/j.bmc.2014.01.017 BindingDB Entry DOI: 10.7270/Q2Q81FJT
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50446674 (CHEMBL3113590) Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@H](F)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H23FN6O7S/c1-16(2,3)11(25)14(26)22-31(27,28)29-4-7-10(24)8(17)15(30-7)23-6-21-9-12(18)19-5-20-13(9)23/h5-8,10-11,15,24-25H,4H2,1-3H3,(H,22,26)(H2,18,19,20)/t7-,8-,10-,11+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	990	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...				Bioorg Med Chem 22: 1726-35 (2014) Article DOI: 10.1016/j.bmc.2014.01.017 BindingDB Entry DOI: 10.7270/Q2Q81FJT
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50347134 (CHEMBL1797249) Show SMILES COC(=O)c1cc2c(OCc3ccccc3)cc(N)cc2[nH]1 Show InChI InChI=1S/C17H16N2O3/c1-21-17(20)15-9-13-14(19-15)7-12(18)8-16(13)22-10-11-5-3-2-4-6-11/h2-9,19H,10,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis pantothenate synthetase using ATP by Dixon plot analysis				Bioorg Med Chem Lett 21: 3943-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.021 BindingDB Entry DOI: 10.7270/Q2X63N93
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50446675 (CHEMBL3113589) Show SMILES CC(C)(C)[C@@H](O)C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H24N6O8S/c1-16(2,3)11(25)14(26)21-31(27,28)29-4-7-9(23)10(24)15(30-7)22-6-20-8-12(17)18-5-19-13(8)22/h5-7,9-11,15,23-25H,4H2,1-3H3,(H,21,26)(H2,17,18,19)/t7-,9-,10+,11+,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...				Bioorg Med Chem 22: 1726-35 (2014) Article DOI: 10.1016/j.bmc.2014.01.017 BindingDB Entry DOI: 10.7270/Q2Q81FJT
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50446672 (CHEMBL3113592) Show SMILES CC(C)(CO)[C@@H](O)CNS(=O)(=O)NC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H27N7O7S/c1-16(2,5-24)9(25)4-22-31(28,29)21-3-8-11(26)12(27)15(30-8)23-7-20-10-13(17)18-6-19-14(10)23/h6-9,11-12,15,21-22,24-27H,3-5H2,1-2H3,(H2,17,18,19)/t8-,9+,11-,12-,15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.47E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Soochow University Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis recombinant PanC expressed in Escherichia coli BL21 (DE3) using pantoic acid and ATP as substrat...				Bioorg Med Chem 22: 1726-35 (2014) Article DOI: 10.1016/j.bmc.2014.01.017 BindingDB Entry DOI: 10.7270/Q2Q81FJT
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50347134 (CHEMBL1797249) Show SMILES COC(=O)c1cc2c(OCc3ccccc3)cc(N)cc2[nH]1 Show InChI InChI=1S/C17H16N2O3/c1-21-17(20)15-9-13-14(19-15)7-12(18)8-16(13)22-10-11-5-3-2-4-6-11/h2-9,19H,10,18H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Medical Sciences and Peking Union Medical College Curated by ChEMBL					Assay Description Competitive inhibition of Mycobacterium tuberculosis pantothenate synthetase using beta-alanine by Dixon plot analysis				Bioorg Med Chem Lett 21: 3943-6 (2011) Article DOI: 10.1016/j.bmcl.2011.05.021 BindingDB Entry DOI: 10.7270/Q2X63N93
					More data for this Ligand-Target Pair