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Found 48 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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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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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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM50065935
PNG
(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
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n/an/a 2.08E+5n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108226
PNG
(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
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n/an/a 2.91E+5n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108230
PNG
(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)
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n/an/a 3.54E+5n/an/an/an/an/an/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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108229
PNG
(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
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n/an/a 5.22E+5n/an/an/an/an/an/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...


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108227
PNG
(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
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n/an/a 8.44E+5n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108228
PNG
(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
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4.22E+5n/a 1.07E+6n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108231
PNG
(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
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n/an/a>2.00E+6n/an/an/an/an/an/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...


Citation and Details
More data for this
Ligand-Target Pair
1-Deoxy-D-xylulose-5-phosphate synthase (DXP synthase))


(Escherichia coli K-12 (Enterobacteria))
BDBM108232
PNG
(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
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n/an/a>2.00E+6n/an/an/an/an/an/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...


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
KEGG

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PubMed
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


Citation and Details
More data for this
Ligand-Target Pair