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Found 40 hits Enz. Inhib. hit(s) with Target = '1-deoxy-D-xylulose-5-phosphate synthase'   
Target
(Institution)
LigandTarget
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
pHTemp
°C
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026350
PNG
(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)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026351
PNG
(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
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n/an/a 3.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264033
PNG
(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
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n/an/a 1.06E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263972
PNG
(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
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n/an/a 1.09E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263925
PNG
(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
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n/an/a 1.40E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264091
PNG
(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
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n/an/a 1.79E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264090
PNG
(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
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n/an/a 1.95E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264092
PNG
(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
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n/an/a 1.97E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM58242
PNG
(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
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n/an/a 2.02E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM51305
PNG
(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
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n/an/a 2.30E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264035
PNG
(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
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n/an/a 3.06E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263971
PNG
(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
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n/an/a 3.42E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264037
PNG
(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
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n/an/a 4.14E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263970
PNG
(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
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n/an/a 4.24E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264034
PNG
(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
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n/an/a 5.35E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264036
PNG
(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
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n/an/a 5.51E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264088
PNG
(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
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n/an/a 6.37E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263876
PNG
(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
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n/an/a 7.11E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263927
PNG
(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
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n/an/a 7.30E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263969
PNG
(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
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n/an/a 9.07E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263929
PNG
(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
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n/an/a 9.84E+4n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263817
PNG
(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
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n/an/a 1.14E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50264089
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM40457
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263928
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263873
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263874
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263875
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263872
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263345
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50263344
PNG
(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
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n/an/a>2.00E+5n/an/an/an/an/an/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)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50373886
PNG
(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)
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n/an/a 4.30E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM50026352
PNG
(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
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n/an/a 5.95E+5n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Deinococcus radiodurans DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026326
PNG
(CHEMBL3305928)
Show SMILES CCCCOP(O)(=O)C(C)=O
Show InChI InChI=1/C6H13O4P/c1-3-4-5-10-11(8,9)6(2)7/h3-5H2,1-2H3,(H,8,9)
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5.60E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026312
PNG
(CHEMBL3306297)
Show SMILES CCOP(O)(=O)C(C)=O
Show InChI InChI=1/C4H9O4P/c1-3-8-9(6,7)4(2)5/h3H2,1-2H3,(H,6,7)
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6.70E+3n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Escherichia coli O127:H6 (strain E2348/69 / EPEC))
BDBM50026348
PNG
(CHEMBL3359030)
Show SMILES CC(=O)P(O)(=O)OCc1ccccc1
Show InChI InChI=1/C9H11O4P/c1-8(10)14(11,12)13-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,12)
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1.04E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Haemophilus influenzae (strain 86-028NP))
BDBM50026349
PNG
(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
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2.33E+4n/an/an/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of Haemophilus influenzae DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Deinococcus radiodurans (strain ATCC 13939 / DSM 2...)
BDBM92962
PNG
(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
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n/an/an/a 114n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to Deinococcus radiodurans DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair
1-deoxy-D-xylulose-5-phosphate synthase


(Mycobacterium tuberculosis)
BDBM92962
PNG
(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
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n/an/an/a 3.10E+3n/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Binding affinity to Mycobacterium tuberculosis DXS


J Med Chem 57: 9740-63 (2014)

More data for this
Ligand-Target Pair