Compile Data Set for Download or QSAR

Found 57 hits with Last Name = 'bergfors' and Initial = 't'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188493 (Triazole 1e) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate assessed as formation of MEP measured every 5 secs for 180 secs by spectrophotome...				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188489 (Triazole 1a) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188495 (Biaryl 2a) Show SMILES OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188495 (Biaryl 2a) Show SMILES OC(=O)OCc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H24N4O3/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(30)31)15-22(23)17-28-11-13-29(14-12-28)24-3-1-2-10-27-24/h1-10,15H,11-14,17-18H2,(H,30,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188492 (Triazole 1d) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C Show InChI InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437793 (CHEMBL2407193) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1cccc(Cn2cncn2)c1 Show InChI InChI=1S/C19H19Cl2N4O5P/c20-16-5-4-14(9-17(16)21)18(31(28,29)30)6-7-25(27)19(26)15-3-1-2-13(8-15)10-24-12-22-11-23-24/h1-5,8-9,11-12,18,27H,6-7,10H2,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188491 (Triazole 1c) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50380000 (CHEMBL258981) Show SMILES CN(O)C(=O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-6(8)5(7)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	159	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437797 (CHEMBL2407184) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H16Cl2NO5P/c17-13-7-6-12(10-14(13)18)15(25(22,23)24)8-9-19(21)16(20)11-4-2-1-3-5-11/h1-7,10,15,21H,8-9H2,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50153713 (3-(N-hydroxyformamido)propylphosphonic acid | 3-[F...) Show SMILES ON(CCCP(O)(O)=O)C=O Show InChI InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	438	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188496 (Biaryl 2b) Show SMILES NC(=O)COc1ccc(c(CN2CCN(CC2)c2ccccn2)c1)-c1ccc(cc1)C#N Show InChI InChI=1S/C25H25N5O2/c26-16-19-4-7-21(8-5-19)23-9-6-20(18-32-25(27)31)15-22(23)17-29-11-13-30(14-12-29)24-3-1-2-10-28-24/h1-10,15H,11-14,17-18H2,(H2,27,31)/p-1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188493 (Triazole 1e) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1Cc1ccc(F)cc1 Show InChI InChI=1S/C27H23F5N4O2S/c1-17(33-25(37)22-4-2-3-5-23(22)27(30,31)32)24-34-35-26(36(24)16-18-6-8-19(28)9-7-18)39-15-14-38-21-12-10-20(29)11-13-21/h2-13,17H,14-16H2,1H3,(H,33,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437803 (CHEMBL2407185) Show SMILES Cc1ccccc1C(=O)N(O)CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C17H18Cl2NO5P/c1-11-4-2-3-5-13(11)17(21)20(22)9-8-16(26(23,24)25)12-6-7-14(18)15(19)10-12/h2-7,10,16,22H,8-9H2,1H3,(H2,23,24,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	830	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081649 (CHEMBL3422255) Show SMILES [Na+].CN(O)C(=O)CC(CCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	843	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188494 (Triazole 1f) Show SMILES CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188490 (Triazole 1b) Show SMILES CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50380000 (CHEMBL258981) Show SMILES CN(O)C(=O)CCCP(O)(O)=O Show InChI InChI=1S/C5H12NO5P/c1-6(8)5(7)3-2-4-12(9,10)11/h8H,2-4H2,1H3,(H2,9,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437792 (CHEMBL2407194) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccc(Cn2cncn2)cc1 Show InChI InChI=1S/C19H19Cl2N4O5P/c20-16-6-5-15(9-17(16)21)18(31(28,29)30)7-8-25(27)19(26)14-3-1-13(2-4-14)10-24-12-22-11-23-24/h1-6,9,11-12,18,27H,7-8,10H2,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437806 (CHEMBL2407346) Show SMILES ON(CCCP(O)(O)=O)C(=O)c1cccnc1 Show InChI InChI=1S/C9H13N2O5P/c12-9(8-3-1-4-10-7-8)11(13)5-2-6-17(14,15)16/h1,3-4,7,13H,2,5-6H2,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437804 (CHEMBL2407348) Show SMILES ON(CCCP(O)(O)=O)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C14H16NO5P/c16-14(15(17)8-3-9-21(18,19)20)13-7-6-11-4-1-2-5-12(11)10-13/h1-2,4-7,10,17H,3,8-9H2,(H2,18,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50422666 (CHEMBL607492) Show SMILES ON(CCCP(O)(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C10H14NO5P/c12-10(9-5-2-1-3-6-9)11(13)7-4-8-17(14,15)16/h1-3,5-6,13H,4,7-8H2,(H2,14,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188492 (Triazole 1d) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccccc2C)n1C Show InChI InChI=1S/C22H23F3N4O2S/c1-14-8-4-7-11-18(14)31-12-13-32-21-28-27-19(29(21)3)15(2)26-20(30)16-9-5-6-10-17(16)22(23,24)25/h4-11,15H,12-13H2,1-3H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437805 (CHEMBL2407347) Show SMILES NC(=O)c1cncc(c1)C(=O)N(O)CCCP(O)(O)=O Show InChI InChI=1S/C10H14N3O6P/c11-9(14)7-4-8(6-12-5-7)10(15)13(16)2-1-3-20(17,18)19/h4-6,16H,1-3H2,(H2,11,14)(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188489 (Triazole 1a) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C21H20F4N4O2S/c1-13(26-19(30)16-5-3-4-6-17(16)21(23,24)25)18-27-28-20(29(18)2)32-12-11-31-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,26,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081650 (CHEMBL3422256) Show SMILES [Na+].CN(O)C(=O)CC(CCCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C15H24NO5P.Na/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13;/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437801 (CHEMBL2407188) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1Cc1cccs1 Show InChI InChI=1S/C21H20Cl2NO5PS/c22-18-8-7-15(13-19(18)23)20(30(27,28)29)9-10-24(26)21(25)17-6-2-1-4-14(17)12-16-5-3-11-31-16/h1-8,11,13,20,26H,9-10,12H2,(H2,27,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081647 (CHEMBL3422252) Show SMILES CC(CC(=O)N(C)O)CP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-5(4-13(10,11)12)3-6(8)7(2)9/h5,9H,3-4H2,1-2H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437796 (CHEMBL2407187) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1OC(F)(F)F Show InChI InChI=1S/C17H15Cl2F3NO6P/c18-12-6-5-10(9-13(12)19)15(30(26,27)28)7-8-23(25)16(24)11-3-1-2-4-14(11)29-17(20,21)22/h1-6,9,15,25H,7-8H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437802 (CHEMBL2407186) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1C(F)(F)F Show InChI InChI=1S/C17H15Cl2F3NO5P/c18-13-6-5-10(9-14(13)19)15(29(26,27)28)7-8-23(25)16(24)11-3-1-2-4-12(11)17(20,21)22/h1-6,9,15,25H,7-8H2,(H2,26,27,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081649 (CHEMBL3422255) Show SMILES [Na+].CN(O)C(=O)CC(CCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C14H22NO5P/c1-15(17)14(16)10-13(11-21(18,19)20)9-5-8-12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-11H2,1H3,(H2,18,19,20)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188491 (Triazole 1c) Show SMILES CC(NC(=O)c1ccccc1C(F)(F)F)c1nnc(SCc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H18F4N4OS/c1-12(25-18(29)15-5-3-4-6-16(15)20(22,23)24)17-26-27-19(28(17)2)30-11-13-7-9-14(21)10-8-13/h3-10,12H,11H2,1-2H3,(H,25,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188490 (Triazole 1b) Show SMILES CC(NC(=O)c1ccccc1Cl)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H20ClFN4O2S/c1-13(23-19(27)16-5-3-4-6-17(16)21)18-24-25-20(26(18)2)29-12-11-28-15-9-7-14(22)8-10-15/h3-10,13H,11-12H2,1-2H3,(H,23,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	>1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437794 (CHEMBL2407192) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1Cn1cncn1 Show InChI InChI=1S/C19H19Cl2N4O5P/c20-16-6-5-13(9-17(16)21)18(31(28,29)30)7-8-25(27)19(26)15-4-2-1-3-14(15)10-24-12-22-11-23-24/h1-6,9,11-12,18,27H,7-8,10H2,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Pantothenate kinase (Mycobacterium tuberculosis ATCC 25618/H37Rv)	BDBM188494 (Triazole 1f) Show SMILES CC(NC(=O)c1c(F)cccc1F)c1nnc(SCCOc2ccc(F)cc2)n1C Show InChI InChI=1S/C20H19F3N4O2S/c1-12(24-19(28)17-15(22)4-3-5-16(17)23)18-25-26-20(27(18)2)30-11-10-29-14-8-6-13(21)7-9-14/h3-9,12H,10-11H2,1-2H3,(H,24,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University					Assay Description Briefly, MtPanK activity was measured in a pyruvate kinaselactate dehydrogenase-coupled assay where the reaction rate was determined by spectrophotom...				J Biol Chem 288: 18260-70 (2013) Article DOI: 10.1074/jbc.M113.476473 BindingDB Entry DOI: 10.7270/Q27H1HDX
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437795 (CHEMBL2407189) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C23H20Cl2F3N2O5P/c24-18-9-8-14(12-19(18)25)21(36(33,34)35)10-11-30(32)22(31)17-6-1-2-7-20(17)29-16-5-3-4-15(13-16)23(26,27)28/h1-9,12-13,21,29,32H,10-11H2,(H2,33,34,35)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437800 (CHEMBL2407190) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1-c1ccccc1 Show InChI InChI=1S/C22H20Cl2NO5P/c23-19-11-10-16(14-20(19)24)21(31(28,29)30)12-13-25(27)22(26)18-9-5-4-8-17(18)15-6-2-1-3-7-15/h1-11,14,21,27H,12-13H2,(H2,28,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437808 (CHEMBL2407195) Show SMILES CCC(=O)N(O)CCCP(O)(O)=O Show InChI InChI=1S/C6H14NO5P/c1-2-6(8)7(9)4-3-5-13(10,11)12/h9H,2-5H2,1H3,(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50081648 (CHEMBL3422254) Show SMILES [Na+].CN(O)C(=O)CC(CCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C13H20NO5P/c1-14(16)13(15)9-12(10-20(17,18)19)8-7-11-5-3-2-4-6-11/h2-6,12,16H,7-10H2,1H3,(H2,17,18,19)/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Mycobacterium tuberculosis Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assesse...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437807 (CHEMBL2407196) Show SMILES ON(CCCP(O)(O)=O)C(=O)c1ccco1 Show InChI InChI=1S/C8H12NO6P/c10-8(7-3-1-5-15-7)9(11)4-2-6-16(12,13)14/h1,3,5,11H,2,4,6H2,(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.87E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437798 (CHEMBL2407349) Show SMILES ON(CCCP(O)(O)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C11H16NO5P/c13-11(9-10-5-2-1-3-6-10)12(14)7-4-8-18(15,16)17/h1-3,5-6,14H,4,7-9H2,(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437799 (CHEMBL2407191) Show SMILES CC(=O)Oc1cccc(c1)C(=O)N(O)CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C18H18Cl2NO7P/c1-11(22)28-14-4-2-3-13(9-14)18(23)21(24)8-7-17(29(25,26)27)12-5-6-15(19)16(20)10-12/h2-6,9-10,17,24H,7-8H2,1H3,(H2,25,26,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50422660 (CHEMBL607357) Show SMILES ON(CCCP(O)(O)=O)C(=O)C1CC1 Show InChI InChI=1S/C7H14NO5P/c9-7(6-2-3-6)8(10)4-1-5-14(11,12)13/h6,10H,1-5H2,(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.56E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50422642 (CHEMBL607355) Show SMILES ON(CCCP(O)(O)=O)C(=O)CNC(=O)C1CC1 Show InChI InChI=1S/C9H17N2O6P/c12-8(6-10-9(13)7-2-3-7)11(14)4-1-5-18(15,16)17/h7,14H,1-6H2,(H,10,13)(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50422649 (CHEMBL607353) Show SMILES ON(CCCP(O)(O)=O)C(=O)CNC(=O)CCCOc1ccccc1 Show InChI InChI=1S/C15H23N2O7P/c18-14(8-4-10-24-13-6-2-1-3-7-13)16-12-15(19)17(20)9-5-11-25(21,22)23/h1-3,6-7,20H,4-5,8-12H2,(H,16,18)(H2,21,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXR using DXP as substrate measured every 5 secs for 250 secs in presence of NADPH				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Escherichia coli)	BDBM50081650 (CHEMBL3422256) Show SMILES [Na+].CN(O)C(=O)CC(CCCCc1ccccc1)CP(O)([O-])=O Show InChI InChI=1S/C15H24NO5P.Na/c1-16(18)15(17)11-14(12-22(19,20)21)10-6-5-9-13-7-3-2-4-8-13;/h2-4,7-8,14,18H,5-6,9-12H2,1H3,(H2,19,20,21);/q;+1/p-1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.73E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universiteit Gent Curated by ChEMBL					Assay Description Inhibition of recombinant Escherichia coli Dxr expressed in Escherichia coli BL21 CodonPlus (DE3)-RIL cells using DOXP as substrate assessed as NADPH...				J Med Chem 58: 2988-3001 (2015) Article DOI: 10.1021/jm5014264 BindingDB Entry DOI: 10.7270/Q2639RG9
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437797 (CHEMBL2407184) Show SMILES ON(CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O)C(=O)c1ccccc1 Show InChI InChI=1S/C16H16Cl2NO5P/c17-13-7-6-12(10-14(13)18)15(25(22,23)24)8-9-19(21)16(20)11-4-2-1-3-5-11/h1-7,10,15,21H,8-9H2,(H2,22,23,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50437798 (CHEMBL2407349) Show SMILES ON(CCCP(O)(O)=O)C(=O)Cc1ccccc1 Show InChI InChI=1S/C11H16NO5P/c13-11(9-10-5-2-1-3-6-10)12(14)7-4-8-18(15,16)17/h1-3,5-6,14H,4,7-9H2,(H2,15,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose 5-phosphate reductoisomerase (Mycobacterium tuberculosis)	BDBM50181148 (1-(3,4-dichlorophenyl)-3-(N-hydroxyacetamido)propy...) Show SMILES CC(=O)N(O)CCC(c1ccc(Cl)c(Cl)c1)P(O)(O)=O Show InChI InChI=1S/C11H14Cl2NO5P/c1-7(15)14(16)5-4-11(20(17,18)19)8-2-3-9(12)10(13)6-8/h2-3,6,11,16H,4-5H2,1H3,(H2,17,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXR assessed as dissociation constant by spectrofluorimetric analysis in presence of NADPH and MnCl2				J Med Chem 56: 6190-9 (2013) Article DOI: 10.1021/jm4006498 BindingDB Entry DOI: 10.7270/Q2S183W1
					More data for this Ligand-Target Pair				3D Structure (crystal)

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