Compile Data Set for Download or QSAR

Found 33 hits Enz. Inhib. hit(s) with all data for entry = 50006203   

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...)	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...)	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...)	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
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...)	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...)	BDBM50497751 (CHEMBL3310309) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(OCc2ccccc2)cc1 Show InChI InChI=1S/C23H20N4O2/c1-17-22(27-14-6-5-9-21(27)25-17)23(28)26-24-15-18-10-12-20(13-11-18)29-16-19-7-3-2-4-8-19/h2-15H,16H2,1H3,(H,26,28)/b24-15+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.37E+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...)	BDBM50497771 (CHEMBL3310313) Show SMILES Cc1nc2ccccn2c1C(=O)NCCc1ccccc1 Show InChI InChI=1S/C17H17N3O/c1-13-16(20-12-6-5-9-15(20)19-13)17(21)18-11-10-14-7-3-2-4-8-14/h2-9,12H,10-11H2,1H3,(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.77E+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...)	BDBM50497752 (CHEMBL3310308) Show SMILES COc1ccc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C17H16N4O2/c1-12-16(21-10-4-3-5-15(21)19-12)17(22)20-18-11-13-6-8-14(23-2)9-7-13/h3-11H,1-2H3,(H,20,22)/b18-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.37E+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...)	BDBM50497749 (CHEMBL3310301) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O Show InChI InChI=1S/C16H12N6O6/c1-9-14(20-5-3-2-4-13(20)17-9)16(24)19-18-15(23)10-6-11(21(25)26)8-12(7-10)22(27)28/h2-8H,1H3,(H,18,23)(H,19,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.48E+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...)	BDBM50497763 (CHEMBL3310316) Show SMILES Cc1nc2ccccn2c1C(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C15H12BrN3O/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	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.95E+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...)	BDBM50497764 (CHEMBL3310317) Show SMILES Cc1nc2ccccn2c1C(=O)Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H12F3N3O/c1-10-14(22-8-3-2-7-13(22)20-10)15(23)21-12-6-4-5-11(9-12)16(17,18)19/h2-9H,1H3,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.01E+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...)	BDBM50497770 (CHEMBL3310310) Show SMILES COc1cc(\C=N\NC(=O)c2c(C)nc3ccccn23)cc(OC)c1OC Show InChI InChI=1S/C19H20N4O4/c1-12-17(23-8-6-5-7-16(23)21-12)19(24)22-20-11-13-9-14(25-2)18(27-4)15(10-13)26-3/h5-11H,1-4H3,(H,22,24)/b20-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.05E+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...)	BDBM50497769 (CHEMBL3310304) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccc(Oc2ccccc2)cc1 Show InChI InChI=1S/C22H18N4O3/c1-15-20(26-14-6-5-9-19(26)23-15)22(28)25-24-21(27)16-10-12-18(13-11-16)29-17-7-3-2-4-8-17/h2-14H,1H3,(H,24,27)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.22E+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...)	BDBM50497776 (CHEMBL3310311) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(C)cc1 Show InChI InChI=1S/C17H16N4O/c1-12-6-8-14(9-7-12)11-18-20-17(22)16-13(2)19-15-5-3-4-10-21(15)16/h3-11H,1-2H3,(H,20,22)/b18-11+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.46E+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 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...)	BDBM50497768 (CHEMBL3310307) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(O)cc1 Show InChI InChI=1S/C16H14N4O2/c1-11-15(20-9-3-2-4-14(20)18-11)16(22)19-17-10-12-5-7-13(21)8-6-12/h2-10,21H,1H3,(H,19,22)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.49E+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...)	BDBM50497773 (CHEMBL3309663) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)C1CCCCC1 Show InChI InChI=1S/C16H20N4O2/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/h5-6,9-10,12H,2-4,7-8H2,1H3,(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	7.70E+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...)	BDBM50497765 (CHEMBL2097958 | GSK1829820A | TCMDC-142346) Show SMILES Cc1nc2ccc(C)cn2c1C(=O)NCc1cccs1 Show InChI InChI=1S/C15H15N3OS/c1-10-5-6-13-17-11(2)14(18(13)9-10)15(19)16-8-12-4-3-7-20-12/h3-7,9H,8H2,1-2H3,(H,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.12E+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...)	BDBM50497748 (CHEMBL3310306) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C17H13F3N4O/c1-11-15(24-9-3-2-4-14(24)22-11)16(25)23-21-10-12-5-7-13(8-6-12)17(18,19)20/h2-10H,1H3,(H,23,25)/b21-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.18E+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...)	BDBM50497755 (CHEMBL3310303) Show SMILES COc1ccccc1C(=O)NNC(=O)c1c(C)nc2ccccn12 Show InChI InChI=1S/C17H16N4O3/c1-11-15(21-10-6-5-9-14(21)18-11)17(23)20-19-16(22)12-7-3-4-8-13(12)24-2/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	8.21E+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...)	BDBM50497757 (CHEMBL3310299) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1ccco1 Show InChI InChI=1S/C14H12N4O3/c1-9-12(18-7-3-2-6-11(18)15-9)14(20)17-16-13(19)10-5-4-8-21-10/h2-8H,1H3,(H,16,19)(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	8.93E+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...)	BDBM50497746 (CHEMBL3310300) Show SMILES Cc1nc2ccccn2c1C(=O)NNC(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C16H13N5O4/c1-10-14(20-8-3-2-7-13(20)17-10)16(23)19-18-15(22)11-5-4-6-12(9-11)21(24)25/h2-9H,1H3,(H,18,22)(H,19,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.20E+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 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...)	BDBM50497760 (CHEMBL3310312) Show SMILES Cc1nc2ccccn2c1C(=O)Nc1ccccc1 Show InChI InChI=1S/C15H13N3O/c1-11-14(18-10-6-5-9-13(18)16-11)15(19)17-12-7-3-2-4-8-12/h2-10H,1H3,(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.28E+4	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...)	BDBM50448407 (CHEBI:4877 | Ethambutol) Show SMILES CC[C@@H](CO)NCCN[C@@H](CC)CO |r| Show InChI InChI=1S/C10H24N2O2/c1-3-9(7-13)11-5-6-12-10(4-2)8-14/h9-14H,3-8H2,1-2H3/t9-,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>2.50E+4	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...)	BDBM50497766 (CHEMBL3212161) Show SMILES Cc1nc2ccccn2c1C(=O)N\N=C\c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C16H13N5O3/c1-11-15(20-9-3-2-4-14(20)18-11)16(22)19-17-10-12-5-7-13(8-6-12)21(23)24/h2-10H,1H3,(H,19,22)/b17-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	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...)	BDBM50336507 (4-pyridinecarbohydrazide(Isoniazid) | CHEMBL64 | D...) Show SMILES NNC(=O)c1ccncc1 Show InChI InChI=1S/C6H7N3O/c7-9-6(10)5-1-3-8-4-2-5/h1-4H,7H2,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	>2.50E+4	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...)	BDBM50497762 (CHEMBL3310314) Show SMILES Cc1nc2ccccn2c1C(=O)Nc1ccccn1 Show InChI InChI=1S/C14H12N4O/c1-10-13(18-9-5-3-7-12(18)16-10)14(19)17-11-6-2-4-8-15-11/h2-9H,1H3,(H,15,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	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...)	BDBM50497747 (CHEMBL3310318) Show SMILES CCOc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 Show InChI InChI=1S/C17H17N3O2/c1-3-22-14-9-7-13(8-10-14)19-17(21)16-12(2)18-15-6-4-5-11-20(15)16/h4-11H,3H2,1-2H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+4	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