Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose-5-phosphate synthase'   

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
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50026326 (CHEMBL3305928) Show SMILES CCCCOP(O)(=O)C(C)=O Show InChI InChI=1S/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026326 (CHEMBL3305928) Show SMILES CCCCOP(O)(=O)C(C)=O Show InChI InChI=1S/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	5.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026312 (CHEMBL3306297) Show SMILES CCOP(O)(=O)C(C)=O Show InChI InChI=1S/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Escherichia coli O127:H6 (strain E2348/69 / EPEC))	BDBM50026348 (CHEMBL3359030) Show SMILES CC(=O)P(O)(=O)OCc1ccccc1 Show InChI InChI=1S/C9H11O4P/c1-8(10)14(11,12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Escherichia coli DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026349 (KETOCLOMAZONE) Show SMILES CC1(C)C(=O)ON(Cc2ccccc2Cl)C1=O Show InChI InChI=1S/C12H12ClNO3/c1-12(2)10(15)14(17-11(12)16)7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108228 (1‐nitroso‐2‐naphthol (Substrate ...) Show SMILES Oc1ccc2ccccc2c1N=O Show InChI InChI=1S/C10H7NO2/c12-9-6-5-7-3-1-2-4-8(7)10(9)11-13/h1-6,12H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	4.22E+5	n/a	1.07E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026350 (CHEMBL3359031) Show SMILES CC(C)(C(O)=O)C(=O)N(O)Cc1ccccc1Cl Show InChI InChI=1S/C12H14ClNO4/c1-12(2,11(16)17)10(15)14(18)7-8-5-3-4-6-9(8)13/h3-6,18H,7H2,1-2H3,(H,16,17)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Haemophilus influenzae (strain 86-028NP))	BDBM50026351 (CHEMBL3359032) Show SMILES CC(C)(CO)C(=O)N(O)Cc1ccccc1Cl Show InChI InChI=1S/C12H16ClNO3/c1-12(2,8-15)11(16)14(17)7-9-5-3-4-6-10(9)13/h3-6,15,17H,7-8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Haemophilus influenzae DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264033 (3-(4-fluorophenyl)-5-(4-methoxyphenyl)-2-methylpyr...) Show SMILES COc1ccc(cc1)-c1cc(=O)n2[nH]c(C)c(-c3ccc(F)cc3)c2n1 Show InChI InChI=1S/C20H16FN3O2/c1-12-19(14-3-7-15(21)8-4-14)20-22-17(11-18(25)24(20)23-12)13-5-9-16(26-2)10-6-13/h3-11,23H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263972 (3-(4-chlorophenyl)-5-(4-methoxyphenyl)-2-methylpyr...) Show SMILES COc1ccc(cc1)-c1cc(=O)n2[nH]c(C)c(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C20H16ClN3O2/c1-12-19(14-3-7-15(21)8-4-14)20-22-17(11-18(25)24(20)23-12)13-5-9-16(26-2)10-6-13/h3-11,23H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.09E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263925 (5-benzyl-3-(4-chlorophenyl)-2-(trifluoromethyl)pyr...) Show SMILES FC(F)(F)c1[nH]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H13ClF3N3O/c21-14-8-6-13(7-9-14)17-18(20(22,23)24)26-27-16(28)11-15(25-19(17)27)10-12-4-2-1-3-5-12/h1-9,11,26H,10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264091 (2-methyl-3,5-diphenyl-6-propylpyrazolo[1,5-a]pyrim...) Show SMILES CCCc1c(nc2c(c(C)[nH]n2c1=O)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C22H21N3O/c1-3-10-18-20(17-13-8-5-9-14-17)23-21-19(16-11-6-4-7-12-16)15(2)24-25(21)22(18)26/h4-9,11-14,24H,3,10H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264090 (2-methyl-5-(naphthalen-2-yl)-3-phenylpyrazolo[1,5-...) Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccc3ccccc3c2)c1-c1ccccc1 Show InChI InChI=1S/C23H17N3O/c1-15-22(17-8-3-2-4-9-17)23-24-20(14-21(27)26(23)25-15)19-12-11-16-7-5-6-10-18(16)13-19/h2-14,25H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.95E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264092 (3-(4-chlorophenyl)-2-ethyl-5-(4-methoxyphenyl)pyra...) Show SMILES CCc1[nH]n2c(nc(cc2=O)-c2ccc(OC)cc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H18ClN3O2/c1-3-17-20(14-4-8-15(22)9-5-14)21-23-18(12-19(26)25(21)24-17)13-6-10-16(27-2)11-7-13/h4-12,24H,3H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM58242 (3-(4-methoxyphenyl)-5-phenyl-2-(trifluoromethyl)-1...) Show SMILES COc1ccc(cc1)-c1c([nH]n2c1nc(cc2=O)-c1ccccc1)C(F)(F)F Show InChI InChI=1S/C20H14F3N3O2/c1-28-14-9-7-13(8-10-14)17-18(20(21,22)23)25-26-16(27)11-15(24-19(17)26)12-5-3-2-4-6-12/h2-11,25H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.02E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM51305 (3,5-diphenyl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a...) Show SMILES FC(F)(F)c1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H12F3N3O/c20-19(21,22)17-16(13-9-5-2-6-10-13)18-23-14(11-15(26)25(18)24-17)12-7-3-1-4-8-12/h1-11,24H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264035 (2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7(4H...) Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccccc1 Show InChI InChI=1S/C19H15N3O/c1-13-18(15-10-6-3-7-11-15)19-20-16(12-17(23)22(19)21-13)14-8-4-2-5-9-14/h2-12,21H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263971 (3-(4-chlorophenyl)-2-methyl-5-phenylpyrazolo[1,5-a...) Show SMILES Cc1[nH]n2c(nc(cc2=O)-c2ccccc2)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClN3O/c1-12-18(14-7-9-15(20)10-8-14)19-21-16(11-17(24)23(19)22-12)13-5-3-2-4-6-13/h2-11,22H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.42E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264037 (3-(4-chlorophenyl)-5-((4-chlorophenylthio)methyl)-...) Show SMILES Cc1[nH]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H15Cl2N3OS/c1-12-19(13-2-4-14(21)5-3-13)20-23-16(10-18(26)25(20)24-12)11-27-17-8-6-15(22)7-9-17/h2-10,24H,11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263970 (3,5-bis(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]py...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]n2c1nc(cc2=O)-c1ccc(OC)cc1 Show InChI InChI=1S/C21H19N3O3/c1-13-20(15-6-10-17(27-3)11-7-15)21-22-18(12-19(25)24(21)23-13)14-4-8-16(26-2)9-5-14/h4-12,23H,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264034 (3-(4-bromophenyl)-5-(2-methoxyphenyl)-2-methylpyra...) Show SMILES COc1ccccc1-c1cc(=O)n2[nH]c(C)c(-c3ccc(Br)cc3)c2n1 Show InChI InChI=1S/C20H16BrN3O2/c1-12-19(13-7-9-14(21)10-8-13)20-22-16(11-18(25)24(20)23-12)15-5-3-4-6-17(15)26-2/h3-11,23H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264036 (3-(4-chlorophenyl)-2-methyl-5-((1-phenyl-1H-tetraz...) Show SMILES Cc1[nH]n2c(nc(CSc3nnnn3-c3ccccc3)cc2=O)c1-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H16ClN7OS/c1-13-19(14-7-9-15(22)10-8-14)20-23-16(11-18(30)29(20)25-13)12-31-21-24-26-27-28(21)17-5-3-2-4-6-17/h2-11,25H,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.51E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264088 (5-((4-chlorophenylthio)methyl)-2-methyl-3-phenylpy...) Show SMILES Cc1[nH]n2c(nc(CSc3ccc(Cl)cc3)cc2=O)c1-c1ccccc1 Show InChI InChI=1S/C20H16ClN3OS/c1-13-19(14-5-3-2-4-6-14)20-22-16(11-18(25)24(20)23-13)12-26-17-9-7-15(21)8-10-17/h2-11,23H,12H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.37E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263876 (5-benzyl-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-...) Show SMILES FC(F)(F)c1[nH]n2c(nc(Cc3ccccc3)cc2=O)c1-c1ccccc1 Show InChI InChI=1S/C20H14F3N3O/c21-20(22,23)18-17(14-9-5-2-6-10-14)19-24-15(12-16(27)26(19)25-18)11-13-7-3-1-4-8-13/h1-10,12,25H,11H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263927 (CHEMBL491398 | methyl 2-(3-(4-bromophenyl)-7-oxo-2...) Show SMILES COC(=O)Cc1cc(=O)n2[nH]c(c(-c3ccc(Br)cc3)c2n1)C(F)(F)F Show InChI InChI=1S/C16H11BrF3N3O3/c1-26-12(25)7-10-6-11(24)23-15(21-10)13(14(22-23)16(18,19)20)8-2-4-9(17)5-3-8/h2-6,22H,7H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263969 (3-(4-methoxyphenyl)-2-methyl-5-phenylpyrazolo[1,5-...) Show SMILES COc1ccc(cc1)-c1c(C)[nH]n2c1nc(cc2=O)-c1ccccc1 Show InChI InChI=1S/C20H17N3O2/c1-13-19(15-8-10-16(25-2)11-9-15)20-21-17(12-18(24)23(20)22-13)14-6-4-3-5-7-14/h3-12,22H,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263929 (3-(4-chlorophenyl)-5-methyl-2-(trifluoromethyl)pyr...) Show SMILES Cc1cc(=O)n2[nH]c(c(-c3ccc(Cl)cc3)c2n1)C(F)(F)F Show InChI InChI=1S/C14H9ClF3N3O/c1-7-6-10(22)21-13(19-7)11(12(20-21)14(16,17)18)8-2-4-9(15)5-3-8/h2-6,20H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.84E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263817 (5-benzyl-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidi...) Show SMILES Clc1ccc(cc1)-c1c[nH]n2c1nc(Cc1ccccc1)cc2=O Show InChI InChI=1S/C19H14ClN3O/c20-15-8-6-14(7-9-15)17-12-21-23-18(24)11-16(22-19(17)23)10-13-4-2-1-3-5-13/h1-9,11-12,21H,10H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263344 (3,5-Bis-(4-chloro-phenyl)-7-trifluoromethyl-pyrazo...) Show SMILES FC(F)(F)c1cc(nc2c(cnn12)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C19H10Cl2F3N3/c20-13-5-1-11(2-6-13)15-10-25-27-17(19(22,23)24)9-16(26-18(15)27)12-3-7-14(21)8-4-12/h1-10H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase 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
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263345 (3-(3-Bromo-phenyl)-5,7-diphenyl-pyrazolo[1,5-a]pyr...) Show SMILES Brc1cccc(c1)-c1cnn2c(cc(nc12)-c1ccccc1)-c1ccccc1 Show InChI InChI=1S/C24H16BrN3/c25-20-13-7-12-19(14-20)21-16-26-28-23(18-10-5-2-6-11-18)15-22(27-24(21)28)17-8-3-1-4-9-17/h1-16H	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50264089 (3-(4-chlorophenyl)-5-(methoxymethyl)-2-methylpyraz...) Show SMILES COCc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C15H14ClN3O2/c1-9-14(10-3-5-11(16)6-4-10)15-17-12(8-21-2)7-13(20)19(15)18-9/h3-7,20H,8H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM40457 (3-(4-chlorophenyl)-5-methyl-6-(phenylmethyl)-2-(tr...) Show SMILES Cc1nc2c(c([nH]n2c(=O)c1Cc1ccccc1)C(F)(F)F)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H15ClF3N3O/c1-12-16(11-13-5-3-2-4-6-13)20(29)28-19(26-12)17(18(27-28)21(23,24)25)14-7-9-15(22)10-8-14/h2-10,27H,11H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263928 (3-(4-bromophenyl)-5-methyl-2-(trifluoromethyl)pyra...) Show SMILES Cc1cc(=O)n2[nH]c(c(-c3ccc(Br)cc3)c2n1)C(F)(F)F Show InChI InChI=1S/C14H9BrF3N3O/c1-7-6-10(22)21-13(19-7)11(12(20-21)14(16,17)18)8-2-4-9(15)5-3-8/h2-6,20H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263873 (3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidi...) Show SMILES Cc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C13H10ClN3O/c1-8-6-12(18)17-13(16-8)11(7-15-17)9-2-4-10(14)5-3-9/h2-7,15H,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263874 (CHEMBL1608283 | ethyl 2-(5-methyl-7-oxo-3-phenyl-4...) Show SMILES CCOC(=O)Cc1c(C)nc2c(cnn2c1O)-c1ccccc1 Show InChI InChI=1S/C17H17N3O3/c1-3-23-15(21)9-13-11(2)19-16-14(10-18-20(16)17(13)22)12-7-5-4-6-8-12/h4-8,10,22H,3,9H2,1-2H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263872 (3-(4-chlorophenyl)-5-(methoxymethyl)pyrazolo[1,5-a...) Show SMILES COCc1cc(=O)n2[nH]cc(-c3ccc(Cl)cc3)c2n1 Show InChI InChI=1S/C14H12ClN3O2/c1-20-8-11-6-13(19)18-14(17-11)12(7-16-18)9-2-4-10(15)5-3-9/h2-7,16H,8H2,1H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM50263875 (5-(chloromethyl)-3-phenylpyrazolo[1,5-a]pyrimidin-...) Show SMILES ClCc1cc(=O)n2[nH]cc(-c3ccccc3)c2n1 Show InChI InChI=1S/C13H10ClN3O/c14-7-10-6-12(18)17-13(16-10)11(8-15-17)9-4-2-1-3-5-9/h1-6,8,15H,7H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis cloned 1-deoxy-D-xylulose-5-phosphate synthase expressed in Escherichia coli				Bioorg Med Chem Lett 18: 5320-3 (2008) Article DOI: 10.1016/j.bmcl.2008.08.034 BindingDB Entry DOI: 10.7270/Q2TX3F71
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM50065935 (CHEMBL98797 | NOB | Nitrosobenzene (Substrate 1) |...) Show SMILES O=Nc1ccccc1 Show InChI InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL KEGG MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.08E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108226 (1‐methyl‐2‐nitrosobenzene (Subst...) Show SMILES Cc1ccccc1N=O Show InChI InChI=1S/C7H7NO/c1-6-4-2-3-5-7(6)8-9/h2-5H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.91E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108230 (6‐hydroxy‐5‐nitrosonaphthalene&#...) Show SMILES NS(=O)(=O)c1ccc2c(N=O)c(O)ccc2c1 Show InChI InChI=1S/C10H8N2O4S/c11-17(15,16)7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H,(H2,11,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.54E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM50373886 (3-Deazathiamine | CHEMBL401772) Show SMILES Cc1c(Cc2cnc(C)nc2N)csc1CCO Show InChI InChI=1S/C13H17N3OS/c1-8-11(7-18-12(8)3-4-17)5-10-6-15-9(2)16-13(10)14/h6-7,17H,3-5H2,1-2H3,(H2,14,15,16)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.30E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108229 (6‐bromo‐1‐nitrosonaphthalen̴...) Show SMILES Oc1ccc2cc(Br)ccc2c1N=O Show InChI InChI=1S/C10H6BrNO2/c11-7-2-3-8-6(5-7)1-4-9(13)10(8)12-14/h1-5,13H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.22E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM50026352 (CHEMBL3359034) Show SMILES FC(F)(F)Oc1cccc(Cn2cnc3ccccc23)c1 Show InChI InChI=1S/C15H11F3N2O/c16-15(17,18)21-12-5-3-4-11(8-12)9-20-10-19-13-6-1-2-7-14(13)20/h1-8,10H,9H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.95E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Inhibition of Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108227 (NDMA (Substrate 4)) Show SMILES CN(C)c1ccc(cc1)N=O Show InChI InChI=1S/C8H10N2O/c1-10(2)8-5-3-7(9-11)4-6-8/h3-6H,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.44E+5	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108232 (1‐isopropyl‐3,5‐dimethyl‐4...) Show SMILES CC(C)n1nc(C)c(N=O)c1C Show InChI InChI=1S/C8H13N3O/c1-5(2)11-7(4)8(10-12)6(3)9-11/h5H,1-4H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase)) (Escherichia coli K-12 (Enterobacteria))	BDBM108231 (7‐methoxy‐1‐nitrosonaphthalen...) Show SMILES COc1ccc2ccc(O)c(N=O)c2c1 Show InChI InChI=1S/C11H9NO3/c1-15-8-4-2-7-3-5-10(13)11(12-14)9(7)6-8/h2-6,13H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine, 725 North Wolfe St, Baltimore, MD 21205, USA					Assay Description Reaction mixtures containing HEPES (100mM, pH 8.0, 2mM MgCl2, 5mM NaCl), ThDP (1mM), BSA (1mg/mL), DMSO (10%, v/v), ᴅ-GAP (30µM), pyruvate...				Chembiochem 14: 1309-15 (2013) Article DOI: 10.1002/cbic.201300187 BindingDB Entry DOI: 10.7270/Q2J101T3
					More data for this Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase (Mycobacterium tuberculosis)	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to Mycobacterium tuberculosis DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
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1-deoxy-D-xylulose-5-phosphate synthase (Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)	BDBM92962 (ThDP) Show SMILES Cc1c(CCOP(O)(=O)OP(O)(O)=O)sc[n+]1Cc1cnc(C)nc1N Show InChI InChI=1S/C12H18N4O7P2S/c1-8-11(3-4-22-25(20,21)23-24(17,18)19)26-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H4-,13,14,15,17,18,19,20,21)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase KEGG MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	114	n/a	n/a	n/a	n/a	n/a
University of Groningen Curated by ChEMBL					Assay Description Binding affinity to Deinococcus radiodurans DXS				J Med Chem 57: 9740-63 (2014) Article DOI: 10.1021/jm5010978 BindingDB Entry DOI: 10.7270/Q29K4CVJ
					More data for this Ligand-Target Pair