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Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with Target = 'Phospho-N-acetylmuramoyl-pentapeptide-transferase' AND taxid = 83333   
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
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135598
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCC[C@@H](C)NC1=O)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C24H33N5O12/c1-9-4-3-5-10(20(35)26-9)27-21(36)12-8-11(30)14(32)23(39-12)41-18(19(25)34)17-16(38-2)15(33)22(40-17)29-7-6-13(31)28-24(29)37/h6-11,14-18,22-23,30,32-33H,3-5H2,1-2H3,(H2,25,34)(H,26,35)(H,27,36)(H,28,31,37)/t9-,10+,11+,14+,15-,16+,17+,18-,22-,23-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50135599
PNG
((4S,5S,6S)-6-{(R)-Carbamoyl-[(2S,3S,4R,5R)-5-(2,4-...)
Show SMILES CO[C@H]1[C@@H](O)[C@@H](O[C@@H]1[C@@H](O[C@H]1OC(=C[C@H](O)[C@@H]1O)C(=O)N[C@H]1CCCCNC1=O)C(N)=O)n1ccc(=O)[nH]c1=O
Show InChI InChI=1S/C23H31N5O12/c1-37-15-14(32)21(28-7-5-12(30)27-23(28)36)39-16(15)17(18(24)33)40-22-13(31)10(29)8-11(38-22)20(35)26-9-4-2-3-6-25-19(9)34/h5,7-10,13-17,21-22,29,31-32H,2-4,6H2,1H3,(H2,24,33)(H,25,34)(H,26,35)(H,27,30,36)/t9-,10-,13-,14+,15-,16-,17+,21+,22+/m0/s1
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n/an/a 18n/an/an/an/an/an/a



Sankyo Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against translocase I


Bioorg Med Chem Lett 13: 2829-32 (2003)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097061
PNG
(1-{5-[1-(5-Aminomethyl-3,4-dihydroxy-tetrahydro-fu...)
Show SMILES NC[C@H]1O[C@@H](OC(CO)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N3O10/c16-3-5-8(21)11(24)14(26-5)27-6(4-19)12-9(22)10(23)13(28-12)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,17,20,25)/t5-,6?,8-,9+,10-,11-,12-,13-,14+/m1/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097058
PNG
(1-[5-[5-amino(imino)methylaminomethyl-3,4-dihydrox...)
Show SMILES NC(N)=NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N5O9/c16-14(17)18-3-5-8(22)11(25)13(29-5)27-4-6-9(23)10(24)12(28-6)20-2-1-7(21)19-15(20)26/h1-2,5-6,8-13,22-25H,3-4H2,(H4,16,17,18)(H,19,21,26)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097053
PNG
(1-[5-[3,4-dihydroxy-5-iminomethylaminomethyl-(2R,3...)
Show SMILES O[C@@H]1[C@@H](CNC=N)O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O
Show InChI InChI=1S/C15H22N4O9/c16-5-17-3-6-9(21)12(24)14(28-6)26-4-7-10(22)11(23)13(27-7)19-2-1-8(20)18-15(19)25/h1-2,5-7,9-14,21-24H,3-4H2,(H2,16,17)(H,18,20,25)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50058291
PNG
(CHEBI:87193 | CHEMBL1205178)
Show SMILES OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
Show InChI InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)
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n/an/a 3.20E+4n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of recombinant MraY overexpressed in Escherichia coli membranes by continuous fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097055
PNG
(1-[5-[3,4-dihydroxy-5-methylaminomethyl-(2R,3R,4R,...)
Show SMILES CNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C15H23N3O9/c1-16-4-6-9(20)12(23)14(27-6)25-5-7-10(21)11(22)13(26-7)18-3-2-8(19)17-15(18)24/h2-3,6-7,9-14,16,20-23H,4-5H2,1H3,(H,17,19,24)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50091506
PNG
(1-[(2R,3R,4S,5R)-5-((2R,3R,4S,5R)-5-Aminomethyl-3,...)
Show SMILES NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C14H21N3O9/c15-3-5-8(19)11(22)13(26-5)24-4-6-9(20)10(21)12(25-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,16,18,23)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102059
PNG
((3R,4R)-3-[2-(5-Bromo-2-chloro-phenyl)-ethyl]-4-fl...)
Show SMILES F[C@@H]1CCNC[C@H]1CCc1cc(Br)ccc1Cl
Show InChI InChI=1S/C13H16BrClFN/c14-11-3-4-12(15)9(7-11)1-2-10-8-17-6-5-13(10)16/h3-4,7,10,13,17H,1-2,5-6,8H2/t10-,13-/m1/s1
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n/an/a 9.00E+4n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097060
PNG
(1-[5-[5-hexylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)
Show SMILES CCCCCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C20H33N3O9/c1-2-3-4-5-7-21-9-11-14(25)17(28)19(32-11)30-10-12-15(26)16(27)18(31-12)23-8-6-13(24)22-20(23)29/h6,8,11-12,14-19,21,25-28H,2-5,7,9-10H2,1H3,(H,22,24,29)/t11-,12-,14-,15-,16-,17-,18-,19-/m1/s1
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n/an/a 1.30E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097063
PNG
(1-[5-[3,4-dihydroxy-5-propylaminomethyl-(2R,3R,4R,...)
Show SMILES CCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N3O9/c1-2-4-18-6-8-11(22)14(25)16(29-8)27-7-9-12(23)13(24)15(28-9)20-5-3-10(21)19-17(20)26/h3,5,8-9,11-16,18,22-25H,2,4,6-7H2,1H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102064
PNG
(3-[2-(5-Bromo-2-chloro-phenyl)-vinyl]-piperidine; ...)
Show SMILES Clc1ccc(Br)cc1\C=C\C1CCCNC1
Show InChI InChI=1S/C13H15BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h3-6,8,10,16H,1-2,7,9H2/b4-3+
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n/an/a 1.40E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097052
PNG
(1-[5-[5-ethylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)
Show SMILES CCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N3O9/c1-2-17-5-7-10(21)13(24)15(28-7)26-6-8-11(22)12(23)14(27-8)19-4-3-9(20)18-16(19)25/h3-4,7-8,10-15,17,21-24H,2,5-6H2,1H3,(H,18,20,25)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097057
PNG
(1-[5-[3,4-dihydroxy-5-isopropylaminomethyl-(2R,3R,...)
Show SMILES CC(C)NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N3O9/c1-7(2)18-5-8-11(22)14(25)16(29-8)27-6-9-12(23)13(24)15(28-9)20-4-3-10(21)19-17(20)26/h3-4,7-9,11-16,18,22-25H,5-6H2,1-2H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102057
PNG
(3-[2-(5-Bromo-2-chloro-phenyl)-ethyl]-piperidine; ...)
Show SMILES Clc1ccc(Br)cc1CCC1CCCNC1
Show InChI InChI=1S/C13H17BrClN/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
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n/an/a 1.85E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102061
PNG
(3-[2-(2,5-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1ccc(Cl)c(CCC2CCCNC2)c1
Show InChI InChI=1S/C13H17Cl2N/c14-12-5-6-13(15)11(8-12)4-3-10-2-1-7-16-9-10/h5-6,8,10,16H,1-4,7,9H2
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n/an/a 1.95E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102051
PNG
(3-[2-(3,4-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1ccc(CCC2CCCNC2)cc1Cl
Show InChI InChI=1S/C13H17Cl2N/c14-12-6-5-10(8-13(12)15)3-4-11-2-1-7-16-9-11/h5-6,8,11,16H,1-4,7,9H2
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n/an/a 2.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102060
PNG
(3-[2-(2,6-Dichloro-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Clc1cccc(Cl)c1CCC1CCCNC1
Show InChI InChI=1S/C13H17Cl2N/c14-12-4-1-5-13(15)11(12)7-6-10-3-2-8-16-9-10/h1,4-5,10,16H,2-3,6-9H2
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n/an/a 2.90E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102056
PNG
(3-[2-(3,5-Bis-trifluoromethyl-phenyl)-ethyl]-piper...)
Show SMILES FC(F)(F)c1cc(CCC2CCCNC2)cc(c1)C(F)(F)F
Show InChI InChI=1S/C15H17F6N/c16-14(17,18)12-6-11(7-13(8-12)15(19,20)21)4-3-10-2-1-5-22-9-10/h6-8,10,22H,1-5,9H2
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n/an/a 3.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102067
PNG
((3S,4S)-3-[3-(5-Bromo-2-chloro-phenyl)-propyl]-4-f...)
Show SMILES F[C@H]1CCNC[C@@H]1CCCc1cc(Br)ccc1Cl
Show InChI InChI=1S/C14H18BrClFN/c15-12-4-5-13(16)10(8-12)2-1-3-11-9-18-7-6-14(11)17/h4-5,8,11,14,18H,1-3,6-7,9H2/t11-,14-/m0/s1
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n/an/a 4.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50058296
PNG
(MICHELLAMINE A)
Show SMILES COc1cc(C)cc2c(cc(c(O)c12)-c1cc(-c2c(O)cc(O)c3[C@@H](C)N[C@H](C)Cc23)c2cc(C)cc(OC)c2c1O)-c1c(O)cc(O)c2[C@@H](C)N[C@H](C)Cc12
Show InChI InChI=1/C46H48N2O8/c1-19-9-25-27(41-31-13-21(3)47-23(5)39(31)33(49)17-35(41)51)15-29(45(53)43(25)37(11-19)55-7)30-16-28(26-10-20(2)12-38(56-8)44(26)46(30)54)42-32-14-22(4)48-24(6)40(32)34(50)18-36(42)52/h9-12,15-18,21-24,47-54H,13-14H2,1-8H3/t21-,22-,23-,24-/s2
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n/an/a 4.56E+5n/an/an/an/an/an/a



University of Warwick

Curated by ChEMBL


Assay Description
Inhibition of recombinant MraY overexpressed in Escherichia coli membranes by continuous fluorescence assay


Citation and Details
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102052
PNG
(5-(5-bromo-2-chlorobenzyl)-4-fluoro-1,2,3,6-tetrah...)
Show SMILES FC1=C(Cc2cc(Br)ccc2Cl)CNCC1
Show InChI InChI=1S/C12H12BrClFN/c13-10-1-2-11(14)8(6-10)5-9-7-16-4-3-12(9)15/h1-2,6,16H,3-5,7H2
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n/an/a 4.80E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102049
PNG
(5-(5-Bromo-2-chloro-benzyl)-1,2,3,6-tetrahydro-pyr...)
Show SMILES Clc1ccc(Br)cc1CC1=CCCNC1
Show InChI InChI=1S/C12H13BrClN/c13-11-3-4-12(14)10(7-11)6-9-2-1-5-15-8-9/h2-4,7,15H,1,5-6,8H2
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n/an/a 6.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102053
PNG
((S)-2-((S)-2-Amino-3-phenyl-propionylamino)-5-guan...)
Show SMILES N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)Nc1ccc2ccccc2c1
Show InChI InChI=1S/C25H30N6O2/c26-21(15-17-7-2-1-3-8-17)23(32)31-22(11-6-14-29-25(27)28)24(33)30-20-13-12-18-9-4-5-10-19(18)16-20/h1-5,7-10,12-13,16,21-22H,6,11,14-15,26H2,(H,30,33)(H,31,32)(H4,27,28,29)/t21-,22-/m0/s1
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n/an/a 7.30E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102062
PNG
(3-(5-Bromo-2-chloro-benzyl)-piperidin-4-one; hydro...)
Show SMILES Clc1ccc(Br)cc1CC1CNCCC1=O
Show InChI InChI=1S/C12H13BrClNO/c13-10-1-2-11(14)8(6-10)5-9-7-15-4-3-12(9)16/h1-2,6,9,15H,3-5,7H2
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102063
PNG
(3-[2-(4-Ethoxy-phenyl)-ethyl]-piperidine | CHEMBL5...)
Show SMILES CCOc1ccc(CCC2CCCNC2)cc1
Show InChI InChI=1S/C15H23NO/c1-2-17-15-9-7-13(8-10-15)5-6-14-4-3-11-16-12-14/h7-10,14,16H,2-6,11-12H2,1H3
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102065
PNG
(3-[2-(3-Chloro-2'-methoxy-biphenyl-4-yl)-ethyl]-pi...)
Show SMILES COc1ccccc1-c1ccc(CCC2CCCNC2)c(Cl)c1
Show InChI InChI=1S/C20H24ClNO/c1-23-20-7-3-2-6-18(20)17-11-10-16(19(21)13-17)9-8-15-5-4-12-22-14-15/h2-3,6-7,10-11,13,15,22H,4-5,8-9,12,14H2,1H3
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102068
PNG
(3-Phenethyl-piperidine | CHEMBL55554)
Show SMILES C(Cc1ccccc1)C1CCCNC1
Show InChI InChI=1S/C13H19N/c1-2-5-12(6-3-1)8-9-13-7-4-10-14-11-13/h1-3,5-6,13-14H,4,7-11H2
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102066
PNG
((3S,4S)-3-(5-Bromo-2-chloro-benzyl)-4-fluoro-piper...)
Show SMILES F[C@H]1CCNC[C@@H]1Cc1cc(Br)ccc1Cl
Show InChI InChI=1S/C12H14BrClFN/c13-10-1-2-11(14)8(6-10)5-9-7-16-4-3-12(9)15/h1-2,6,9,12,16H,3-5,7H2/t9-,12-/m0/s1
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Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102050
PNG
((S)-3-(5-Bromo-2-chloro-benzyl)-piperidin-4-ol; hy...)
Show SMILES OC1CCNC[C@@H]1Cc1cc(Br)ccc1Cl
Show InChI InChI=1S/C12H15BrClNO/c13-10-1-2-11(14)8(6-10)5-9-7-15-4-3-12(9)16/h1-2,6,9,12,15-16H,3-5,7H2/t9-,12?/m0/s1
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102054
PNG
(3-[2-(2,5-Dimethyl-phenyl)-ethyl]-piperidine | CHE...)
Show SMILES Cc1ccc(C)c(CCC2CCCNC2)c1
Show InChI InChI=1S/C15H23N/c1-12-5-6-13(2)15(10-12)8-7-14-4-3-9-16-11-14/h5-6,10,14,16H,3-4,7-9,11H2,1-2H3
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Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102055
PNG
(4-(2-Piperidin-3-yl-ethyl)-benzonitrile | CHEMBL55...)
Show SMILES N#Cc1ccc(CCC2CCCNC2)cc1
Show InChI InChI=1S/C14H18N2/c15-10-13-6-3-12(4-7-13)5-8-14-2-1-9-16-11-14/h3-4,6-7,14,16H,1-2,5,8-9,11H2
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n/an/a>9.00E+5n/an/an/an/an/an/a



Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50102058
PNG
((3S,4S)-3-(5-Bromo-2-chloro-benzyl)-piperidin-4-ol...)
Show SMILES O[C@H]1CCNC[C@@H]1Cc1cc(Br)ccc1Cl
Show InChI InChI=1S/C12H15BrClNO/c13-10-1-2-11(14)8(6-10)5-9-7-15-4-3-12(9)16/h1-2,6,9,12,15-16H,3-5,7H2/t9-,12-/m0/s1
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Pharmacia

Curated by ChEMBL


Assay Description
Inhibitory activity against accumulation of [14C]-labeled Linezolid within wild-type Escherichia coli K12 cells


Bioorg Med Chem Lett 11: 1903-6 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097051
PNG
(1-[5-[5-dimethylaminomethyl-3,4-dihydroxy-(2R,3R,4...)
Show SMILES CN(C)C[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H25N3O9/c1-18(2)5-7-10(21)13(24)15(28-7)26-6-8-11(22)12(23)14(27-8)19-4-3-9(20)17-16(19)25/h3-4,7-8,10-15,21-24H,5-6H2,1-2H3,(H,17,20,25)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097062
PNG
(CHEMBL151269 | N-[5-[5-(2,4-dioxo-1,2,3,4-tetrahyd...)
Show SMILES O[C@@H]1[C@@H](CNC=O)O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O
Show InChI InChI=1S/C15H21N3O10/c19-5-16-3-6-9(21)12(24)14(28-6)26-4-7-10(22)11(23)13(27-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,17,20,25)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097054
PNG
(5-[5-(2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidinyl)-...)
Show SMILES C[N+](C)(C)C[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C17H27N3O9/c1-20(2,3)6-8-11(22)14(25)16(29-8)27-7-9-12(23)13(24)15(28-9)19-5-4-10(21)18-17(19)26/h4-5,8-9,11-16,22-25H,6-7H2,1-3H3/p+1/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097056
PNG
(1N-[5-[5-(2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidin...)
Show SMILES CC(=O)NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C16H23N3O10/c1-6(20)17-4-7-10(22)13(25)15(29-7)27-5-8-11(23)12(24)14(28-8)19-3-2-9(21)18-16(19)26/h2-3,7-8,10-15,22-25H,4-5H2,1H3,(H,17,20)(H,18,21,26)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Escherichia coli (strain K12))
BDBM50097059
PNG
(1-[5-[3,4-dihydroxy-5-hydroxymethyl-(2R,3R,4R,5R)-...)
Show SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O
Show InChI InChI=1S/C14H20N2O10/c17-3-5-8(19)11(22)13(26-5)24-4-6-9(20)10(21)12(25-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,15,18,23)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1
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Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibition of E. coli Translocase (mraY)


Bioorg Med Chem Lett 11: 529-31 (2001)

More data for this
Ligand-Target Pair