Compile Data Set for Download or QSAR

Found 138 hits with Last Name = 'samala' and Initial = 'g'   

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
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50423645 (Albamycin | Cathomycin | NOVOBIOCIN) Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@H](-[#8])-[#6@@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25-,26+,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50492813 (CHEMBL2414609) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C19H25BrN4O/c1-5-23-11-10-16-15(12-23)17(19(2,3)4)22-24(16)18(25)21-14-8-6-13(20)7-9-14/h6-9H,5,10-12H2,1-4H3,(H,21,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147729 (CHEMBL3765483) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C17H12BrN3OS/c1-10-15(16(22)20-12-8-6-11(18)7-9-12)21-13-4-2-3-5-14(13)23-17(21)19-10/h2-9H,1H3,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147691 (CHEMBL3764865) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C24H18N4O3S/c1-15-21(28-19-9-5-6-10-20(19)32-24(28)25-15)23(30)27-26-22(29)16-11-13-18(14-12-16)31-17-7-3-2-4-8-17/h2-14H,1H3,(H,26,29)(H,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	530	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147716 (CHEMBL3763241) Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C14H12N4OS/c1-10-12(18-7-8-20-14(18)16-10)13(19)17-15-9-11-5-3-2-4-6-11/h2-9H,1H3,(H,17,19)/b15-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147695 (CHEMBL3765314) Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C18H14N4O2S/c1-11-15(22-9-10-25-18(22)19-11)17(24)21-20-16(23)14-8-4-6-12-5-2-3-7-13(12)14/h2-10H,1H3,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147715 (CHEMBL3764614) Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C15H11F3N4OS/c1-9-12(22-6-7-24-14(22)20-9)13(23)21-19-8-10-2-4-11(5-3-10)15(16,17)18/h2-8H,1H3,(H,21,23)/b19-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	670	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147724 (CHEMBL3764280) Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C13H10BrN3OS/c1-8-11(17-6-7-19-13(17)15-8)12(18)16-10-4-2-9(14)3-5-10/h2-7H,1H3,(H,16,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147725 (CHEMBL3765736) Show SMILES Cc1nc2sccn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C13H11N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	740	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147732 (CHEMBL3764694) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NCc1ccccc1 Show InChI InChI=1S/C18H15N3OS/c1-12-16(17(22)19-11-13-7-3-2-4-8-13)21-14-9-5-6-10-15(14)23-18(21)20-12/h2-10H,11H2,1H3,(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	840	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066107 (CHEMBL3402951) Show SMILES NC(=O)c1cc(sc1NC(=O)c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H14N2O2S/c19-16(21)14-11-15(12-7-3-1-4-8-12)23-18(14)20-17(22)13-9-5-2-6-10-13/h1-11H,(H2,19,21)(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	860	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50492811 (CHEMBL2414610) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1c(C)cccc1C)C(C)(C)C Show InChI InChI=1S/C21H30N4O/c1-7-24-12-11-17-16(13-24)19(21(4,5)6)23-25(17)20(26)22-18-14(2)9-8-10-15(18)3/h8-10H,7,11-13H2,1-6H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50492811 (CHEMBL2414610) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1c(C)cccc1C)C(C)(C)C Show InChI InChI=1S/C21H30N4O/c1-7-24-12-11-17-16(13-24)19(21(4,5)6)23-25(17)20(26)22-18-14(2)9-8-10-15(18)3/h8-10H,7,11-13H2,1-6H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in rat spleen homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50492813 (CHEMBL2414609) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1ccc(Br)cc1)C(C)(C)C Show InChI InChI=1S/C19H25BrN4O/c1-5-23-11-10-16-15(12-23)17(19(2,3)4)22-24(16)18(25)21-14-8-6-13(20)7-9-14/h6-9H,5,10-12H2,1-4H3,(H,21,25)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in rat spleen homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50492812 (CHEMBL2414612) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1ccc(C)cc1C)C(C)(C)C Show InChI InChI=1S/C21H30N4O/c1-7-24-11-10-18-16(13-24)19(21(4,5)6)23-25(18)20(26)22-17-9-8-14(2)12-15(17)3/h8-9,12H,7,10-11,13H2,1-6H3,(H,22,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Rattus norvegicus (Rat))	BDBM50492812 (CHEMBL2414612) Show SMILES CCN1CCc2c(C1)c(nn2C(=O)Nc1ccc(C)cc1C)C(C)(C)C Show InChI InChI=1S/C21H30N4O/c1-7-24-11-10-18-16(13-24)19(21(4,5)6)23-25(18)20(26)22-17-9-8-14(2)12-15(17)3/h8-9,12H,7,10-11,13H2,1-6H3,(H,22,26)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science - Pilani Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from CB2 receptor in rat spleen homogenate after 90 mins				Eur J Med Chem 66: 211-20 (2013) Article DOI: 10.1016/j.ejmech.2013.05.022 BindingDB Entry DOI: 10.7270/Q2WH2SX7
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147733 (CHEMBL3763165) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NC1CCCCC1 Show InChI InChI=1S/C17H19N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147719 (CHEMBL3763769) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(Br)cc1 Show InChI InChI=1S/C18H13BrN4OS/c1-11-16(17(24)22-20-10-12-6-8-13(19)9-7-12)23-14-4-2-3-5-15(14)25-18(23)21-11/h2-10H,1H3,(H,22,24)/b20-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147730 (CHEMBL3765612) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C17H13N3OS/c1-11-15(16(21)19-12-7-3-2-4-8-12)20-13-9-5-6-10-14(13)22-17(20)18-11/h2-10H,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147727 (CHEMBL3765386) Show SMILES Cc1nc2sccn2c1C(=O)NCc1ccccc1 Show InChI InChI=1S/C14H13N3OS/c1-10-12(17-7-8-19-14(17)16-10)13(18)15-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147693 (CHEMBL3763613) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1ccccc1 Show InChI InChI=1S/C18H14N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h2-10H,1H3,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147712 (CHEMBL3764292) Show SMILES Cc1nc2sccn2c1C(=O)N\N=C\c1ccc(Br)cc1 Show InChI InChI=1S/C14H11BrN4OS/c1-9-12(19-6-7-21-14(19)17-9)13(20)18-16-8-10-2-4-11(15)5-3-10/h2-8H,1H3,(H,18,20)/b16-8+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147696 (CHEMBL3763438) Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C20H16N4O3S/c1-13-17(24-11-12-28-20(24)21-13)19(26)23-22-18(25)14-7-9-16(10-8-14)27-15-5-3-2-4-6-15/h2-12H,1H3,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147690 (CHEMBL3763254) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C22H16N4O2S/c1-13-19(26-17-11-4-5-12-18(17)29-22(26)23-13)21(28)25-24-20(27)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,24,27)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147723 (CHEMBL3764019) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc1 Show InChI InChI=1S/C20H19N5OS/c1-13-18(25-16-6-4-5-7-17(16)27-20(25)22-13)19(26)23-21-12-14-8-10-15(11-9-14)24(2)3/h4-12H,1-3H3,(H,23,26)/b21-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.46E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066117 (CHEMBL3402957) Show SMILES NC(=O)c1cc(sc1NC(=O)c1cccs1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O2S2/c17-14(19)11-9-13(10-5-2-1-3-6-10)22-16(11)18-15(20)12-7-4-8-21-12/h1-9H,(H2,17,19)(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066085 (CHEMBL3402933) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccccc1)-c1ccccc1 Show InChI InChI=1S/C18H15N3O2S/c19-16(22)14-11-15(12-7-3-1-4-8-12)24-17(14)21-18(23)20-13-9-5-2-6-10-13/h1-11H,(H2,19,22)(H2,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.83E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497758 (CHEMBL3309662) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc2ccccc12 Show InChI InChI=1S/C20H16N4O2/c1-13-18(24-12-5-4-11-17(24)21-13)20(26)23-22-19(25)16-10-6-8-14-7-2-3-9-15(14)16/h2-12H,1H3,(H,22,25)(H,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497761 (CHEMBL1487172) Show SMILES Cc1nc2ccccn2c1C(=O)NC1CCCCC1 Show InChI InChI=1S/C15H19N3O/c1-11-14(18-10-6-5-9-13(18)16-11)15(19)17-12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147728 (CHEMBL3763965) Show SMILES Cc1nc2sccn2c1C(=O)NC1CCCCC1 Show InChI InChI=1S/C13H17N3OS/c1-9-11(16-7-8-18-13(16)14-9)12(17)15-10-5-3-2-4-6-10/h7-8,10H,2-6H2,1H3,(H,15,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147722 (CHEMBL3763344) Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3sc4ccccc4n23)cc(OC)c1OC Show InChI InChI=1S/C21H20N4O4S/c1-12-18(25-14-7-5-6-8-17(14)30-21(25)23-12)20(26)24-22-11-13-9-15(27-2)19(29-4)16(10-13)28-3/h5-11H,1-4H3,(H,24,26)/b22-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147731 (CHEMBL3765655) Show SMILES CCOc1ccc(NC(=O)c2c(C)nc3sc4ccccc4n23)cc1 Show InChI InChI=1S/C19H17N3O2S/c1-3-24-14-10-8-13(9-11-14)21-18(23)17-12(2)20-19-22(17)15-6-4-5-7-16(15)25-19/h4-11H,3H2,1-2H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147721 (CHEMBL3765594) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C18H14N4OS/c1-12-16(17(23)21-19-11-13-7-3-2-4-8-13)22-14-9-5-6-10-15(14)24-18(22)20-12/h2-11H,1H3,(H,21,23)/b19-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066096 (CHEMBL3402942) Show SMILES Cc1ccc(NC(=S)Nc2sc(cc2C(N)=O)-c2ccccc2)cc1 Show InChI InChI=1S/C19H17N3OS2/c1-12-7-9-14(10-8-12)21-19(24)22-18-15(17(20)23)11-16(25-18)13-5-3-2-4-6-13/h2-11H,1H3,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.46E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147718 (CHEMBL3763895) Show SMILES CN(C)c1ccc(\C=N\NC(=O)c2c(C)nc3sccn23)cc1 Show InChI InChI=1S/C16H17N5OS/c1-11-14(21-8-9-23-16(21)18-11)15(22)19-17-10-12-4-6-13(7-5-12)20(2)3/h4-10H,1-3H3,(H,19,22)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497772 (CHEMBL1569394) Show SMILES Cc1nc2ccccn2c1C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O/c1-10-14(19-9-3-2-4-13(19)17-10)15(20)18-12-7-5-11(16)6-8-12/h2-9H,1H3,(H,18,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497750 (CHEMBL2098049 | GSK957094A | TCMDC-142444) Show SMILES Cc1nc2ccccn2c1C(=O)NCc1ccccc1 Show InChI InChI=1S/C16H15N3O/c1-12-15(19-10-6-5-9-14(19)18-12)16(20)17-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497767 (CHEMBL3310315) Show SMILES Cc1nc2ccccn2c1C(=O)NCc1ccco1 Show InChI InChI=1S/C14H13N3O2/c1-10-13(17-7-3-2-6-12(17)16-10)14(18)15-9-11-5-4-8-19-11/h2-8H,9H2,1H3,(H,15,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.81E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147699 (CHEMBL3764636) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)NNC(=O)C1CCCCC1 Show InChI InChI=1S/C18H20N4O2S/c1-11-15(17(24)21-20-16(23)12-7-3-2-4-8-12)22-13-9-5-6-10-14(13)25-18(22)19-11/h5-6,9-10,12H,2-4,7-8H2,1H3,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066081 (CHEMBL3402930) Show SMILES NC(=O)c1cc(sc1NC(=O)Nc1ccc(Cl)cc1)-c1ccccc1 Show InChI InChI=1S/C18H14ClN3O2S/c19-12-6-8-13(9-7-12)21-18(24)22-17-14(16(20)23)10-15(25-17)11-4-2-1-3-5-11/h1-10H,(H2,20,23)(H2,21,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497756 (CHEMBL3310302) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C17H16N4O2/c1-11-6-8-13(9-7-11)16(22)19-20-17(23)15-12(2)18-14-5-3-4-10-21(14)15/h3-10H,1-2H3,(H,19,22)(H,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497759 (CHEMBL3309661) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccccc1 Show InChI InChI=1S/C16H14N4O2/c1-11-14(20-10-6-5-9-13(20)17-11)16(22)19-18-15(21)12-7-3-2-4-8-12/h2-10H,1H3,(H,18,21)(H,19,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
DNA gyrase subunit B (Mycobacterium smegmatis)	BDBM50066113 (CHEMBL3402954) Show SMILES CCCC(=O)Nc1sc(cc1C(N)=O)-c1ccccc1 Show InChI InChI=1S/C15H16N2O2S/c1-2-6-13(18)17-15-11(14(16)19)9-12(20-15)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3,(H2,16,19)(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.57E+3	n/a	n/a	n/a	n/a	n/a	25
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium smegmatis DNA GyrB domain assessed as inhibition of inorganic phosphate release after 100 mins at room temperature by ATP...				Bioorg Med Chem 23: 1402-12 (2015) Article DOI: 10.1016/j.bmc.2015.02.032 BindingDB Entry DOI: 10.7270/Q2QF8VKM
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497775 (CHEMBL3207709) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(F)cc1 Show InChI InChI=1S/C16H13FN4O/c1-11-15(21-9-3-2-4-14(21)19-11)16(22)20-18-10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497753 (CHEMBL3310305) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(Br)cc1 Show InChI InChI=1S/C16H13BrN4O/c1-11-15(21-9-3-2-4-14(21)19-11)16(22)20-18-10-12-5-7-13(17)8-6-12/h2-10H,1H3,(H,20,22)/b18-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497754 (CHEMBL3199732) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccccc1 Show InChI InChI=1S/C16H14N4O/c1-12-15(20-10-6-5-9-14(20)18-12)16(21)19-17-11-13-7-3-2-4-8-13/h2-11H,1H3,(H,19,21)/b17-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.86E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147697 (CHEMBL3764470) Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccc(C)cc1 Show InChI InChI=1S/C15H14N4O2S/c1-9-3-5-11(6-4-9)13(20)17-18-14(21)12-10(2)16-15-19(12)7-8-22-15/h3-8H,1-2H3,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50497774 (CHEMBL3309272) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(Cl)cc1Cl Show InChI InChI=1S/C16H12Cl2N4O2/c1-9-14(22-7-3-2-4-13(22)19-9)16(24)21-20-15(23)11-6-5-10(17)8-12(11)18/h2-8H,1H3,(H,20,23)(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology & Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase expressed in Escherichia coli BL21 (DE3) by spectrophotometry				Bioorg Med Chem 22: 4223-32 (2014) Article DOI: 10.1016/j.bmc.2014.05.038 BindingDB Entry DOI: 10.7270/Q2D79FDX
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147698 (CHEMBL3763961) Show SMILES Cc1nc2sccn2c1C(=O)NNC(=O)c1ccccc1 Show InChI InChI=1S/C14H12N4O2S/c1-9-11(18-7-8-21-14(18)15-9)13(20)17-16-12(19)10-5-3-2-4-6-10/h2-8H,1H3,(H,16,19)(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair
Pantothenate synthetase (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM50147720 (CHEMBL3764964) Show SMILES Cc1nc2sc3ccccc3n2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C19H13F3N4OS/c1-11-16(26-14-4-2-3-5-15(14)28-18(26)24-11)17(27)25-23-10-12-6-8-13(9-7-12)19(20,21)22/h2-10H,1H3,(H,25,27)/b23-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
Birla Institute of Technology& Science-Pilani Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis pantothenate synthetase using pantoic acid as substrate and beta-alanine as reactant assessed as NAD+ format...				Bioorg Med Chem 24: 1298-307 (2016) Article DOI: 10.1016/j.bmc.2016.01.059 BindingDB Entry DOI: 10.7270/Q2C82C5B
					More data for this Ligand-Target Pair

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