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Found 24 hits Enz. Inhib. hit(s) with Target = 'MurB (S. aureus)'   
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
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119080
PNG
(MurB inhibitor (compound 19))
Show SMILES [O-][N+](=O)c1cnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1
Show InChI InChI=1S/C10H6Cl2N4O3S/c11-6-2-1-5(3-7(6)12)14-9(17)15-10-13-4-8(20-10)16(18)19/h1-4H,(H2,13,14,15,17)
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PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119079
PNG
(MurB inhibitor (compound 18))
Show SMILES CC1(CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17Cl4N3O3/c1-24(13-21(32)29-20-11-6-16(27)12-19(20)28)22(33)30(17-7-2-14(25)3-8-17)31(23(24)34)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3,(H,29,32)
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166493
PNG
(4-(2-Benzylsulfanyl-ethyl)-1,2-bis-(4-chloro-pheny...)
Show SMILES Oc1c(CCSCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O2S/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2
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PubMed
n/an/a 5.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166485
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)
Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166480
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[2-(4-fluoro-phenyl)-2...)
Show SMILES Oc1c(CC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C23H15Cl2FN2O3/c24-15-3-9-18(10-4-15)27-22(30)20(13-21(29)14-1-7-17(26)8-2-14)23(31)28(27)19-11-5-16(25)6-12-19/h1-12,30H,13H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166485
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-[2-(2,4-difluoro...)
Show SMILES Fc1ccc(C(=O)CC2(CC(=O)c3ccc(F)cc3F)C(=O)N(N(C2=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)c(F)c1
Show InChI InChI=1S/C31H18Cl2F4N2O4/c32-17-1-7-21(8-2-17)38-29(42)31(15-27(40)23-11-5-19(34)13-25(23)36,16-28(41)24-12-6-20(35)14-26(24)37)30(43)39(38)22-9-3-18(33)4-10-22/h1-14H,15-16H2
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166500
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(4-phenyl-butyl)-pyraz...)
Show SMILES Oc1c(CCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H22Cl2N2O2/c26-19-10-14-21(15-11-19)28-24(30)23(9-5-4-8-18-6-2-1-3-7-18)25(31)29(28)22-16-12-20(27)13-17-22/h1-3,6-7,10-17,30H,4-5,8-9H2
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PubMed
n/an/a 6.80E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166499
PNG
(4,4-Bis-(2-benzyloxy-ethyl)-1,2-bis-(4-chloro-phen...)
Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCOCc2ccccc2)(CCOCc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30Cl2N2O4/c34-27-11-15-29(16-12-27)36-31(38)33(19-21-40-23-25-7-3-1-4-8-25,20-22-41-24-26-9-5-2-6-10-26)32(39)37(36)30-17-13-28(35)14-18-30/h1-18H,19-24H2
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PubMed
n/an/a 7.50E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166475
PNG
(1,2-Bis-(4-chloro-phenyl)-4,4-bis-(6-phenyl-hexyl)...)
Show SMILES Clc1ccc(cc1)N1N(C(=O)C(CCCCCCc2ccccc2)(CCCCCCc2ccccc2)C1=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C39H42Cl2N2O2/c40-33-21-25-35(26-22-33)42-37(44)39(38(45)43(42)36-27-23-34(41)24-28-36,29-13-3-1-7-15-31-17-9-5-10-18-31)30-14-4-2-8-16-32-19-11-6-12-20-32/h5-6,9-12,17-28H,1-4,7-8,13-16,29-30H2
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n/an/a 8.20E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166483
PNG
(4-(2-Benzyloxy-ethyl)-1,2-bis-(4-chloro-phenyl)-py...)
Show SMILES Oc1c(CCOCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H20Cl2N2O3/c25-18-6-10-20(11-7-18)27-23(29)22(14-15-31-16-17-4-2-1-3-5-17)24(30)28(27)21-12-8-19(26)9-13-21/h1-13,29H,14-16H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166497
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[4-(4-fluoro-phenyl)-4...)
Show SMILES Oc1c(CCCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C25H19Cl2FN2O3/c26-17-6-12-20(13-7-17)29-24(32)22(25(33)30(29)21-14-8-18(27)9-15-21)2-1-3-23(31)16-4-10-19(28)11-5-16/h4-15,32H,1-3H2
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n/an/a 1.10E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166478
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(6-phenyl-hexyl)-pyraz...)
Show SMILES Oc1c(CCCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C27H26Cl2N2O2/c28-21-12-16-23(17-13-21)30-26(32)25(27(33)31(30)24-18-14-22(29)15-19-24)11-7-2-1-4-8-20-9-5-3-6-10-20/h3,5-6,9-10,12-19,32H,1-2,4,7-8,11H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166496
PNG
(1-{4-[1,2-Bis-(4-chloro-phenyl)-3,5-dioxo-pyrazoli...)
Show SMILES Oc1c(Cc2ccc(cc2)C2(CC=CC=C2)C#N)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C29H21Cl2N3O2/c30-22-8-12-24(13-9-22)33-27(35)26(28(36)34(33)25-14-10-23(31)11-15-25)18-20-4-6-21(7-5-20)29(19-32)16-2-1-3-17-29/h1-16,35H,17-18H2
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n/an/a 1.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119122
PNG
(MurA/B/C/D/E inhibitor (compound 67))
Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O
Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-10-8-14(9-11-16)19-20(26)18(28-21(19)27)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,19H
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n/an/a 1.30E+4n/an/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166494
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[3-(4-fluoro-phenyl)-3...)
Show SMILES Oc1c(CCC(=O)c2ccc(F)cc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C24H17Cl2FN2O3/c25-16-3-9-19(10-4-16)28-23(31)21(13-14-22(30)15-1-7-18(27)8-2-15)24(32)29(28)20-11-5-17(26)6-12-20/h1-12,31H,13-14H2
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n/an/a 1.80E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166486
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(2,4-dichloro-benzyl)-...)
Show SMILES Oc1c(Cc2ccc(Cl)cc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H14Cl4N2O2/c23-14-3-7-17(8-4-14)27-21(29)19(11-13-1-2-16(25)12-20(13)26)22(30)28(27)18-9-5-15(24)6-10-18/h1-10,12,29H,11H2
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n/an/a 2.90E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166495
PNG
(1,2-Bis-(4-chloro-phenyl)-4-(5-phenyl-pentyl)-pyra...)
Show SMILES Oc1c(CCCCCc2ccccc2)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C26H24Cl2N2O2/c27-20-11-15-22(16-12-20)29-25(31)24(10-6-2-5-9-19-7-3-1-4-8-19)26(32)30(29)23-17-13-21(28)14-18-23/h1,3-4,7-8,11-18,31H,2,5-6,9-10H2
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n/an/a 3.20E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166484
PNG
(1,2-Bis-(4-chloro-phenyl)-4-methyl-4-(6-phenyl-hex...)
Show SMILES CC1(CCCCCCc2ccccc2)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C28H28Cl2N2O2/c1-28(20-8-3-2-5-9-21-10-6-4-7-11-21)26(33)31(24-16-12-22(29)13-17-24)32(27(28)34)25-18-14-23(30)15-19-25/h4,6-7,10-19H,2-3,5,8-9,20H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166479
PNG
(4-[2-(Benzyl-ethyl-amino)-ethyl]-1,2-bis-(4-chloro...)
Show SMILES CCN(CCc1c(O)n(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)c1=O)Cc1ccccc1
Show InChI InChI=1S/C26H25Cl2N3O2/c1-2-29(18-19-6-4-3-5-7-19)17-16-24-25(32)30(22-12-8-20(27)9-13-22)31(26(24)33)23-14-10-21(28)11-15-23/h3-15,32H,2,16-18H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166502
PNG
(1,2-Bis-(4-chloro-phenyl)-5-[2-(2,4-difluoro-pheny...)
Show SMILES CC1C(OCC(=O)c2ccc(F)cc2F)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H18Cl2F2N2O3/c1-14-23(32)29(18-7-2-15(25)3-8-18)30(19-9-4-16(26)5-10-19)24(14)33-13-22(31)20-11-6-17(27)12-21(20)28/h2-12,14,24H,13H2,1H3
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166476
PNG
(4-(2-Chloro-benzyl)-1,2-bis-(4-chloro-phenyl)-pyra...)
Show SMILES Oc1c(Cc2ccccc2Cl)c(=O)n(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1
Show InChI InChI=1S/C22H15Cl3N2O2/c23-15-5-9-17(10-6-15)26-21(28)19(13-14-3-1-2-4-20(14)25)22(29)27(26)18-11-7-16(24)8-12-18/h1-12,28H,13H2
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n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM50166491
PNG
(1,2-Bis-(4-chloro-phenyl)-4-[2-(2,4-difluoro-pheny...)
Show SMILES CC1(CC(=O)c2ccc(F)cc2F)C(=O)N(N(C1=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
Show InChI InChI=1S/C24H16Cl2F2N2O3/c1-24(13-21(31)19-11-6-16(27)12-20(19)28)22(32)29(17-7-2-14(25)3-8-17)30(23(24)33)18-9-4-15(26)5-10-18/h2-12H,13H2,1H3
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PC sid
UniChem

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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against MurB enzyme in Staphylococcus aureus


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More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM119078
PNG
(MurB inhibitor (compound 15))
Show SMILES CCOC(=O)C(=NNc1cccc(c1)C(F)(F)F)C1=Nc2ccccc2SC1
Show InChI InChI=1S/C19H16F3N3O2S/c1-2-27-18(26)17(15-11-28-16-9-4-3-8-14(16)23-15)25-24-13-7-5-6-12(10-13)19(20,21)22/h3-10,24H,2,11H2,1H3
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n/an/an/a 140n/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair
MurB (S. aureus)


(Staphylococcus aureus (Firmicutes))
BDBM11304
PNG
(Compound 2 analog 15 | MurB inhibitor (compound 16...)
Show SMILES FC(F)(F)c1nnc(SC(=O)c2ccc(o2)C#Cc2ccccc2)[nH]1
Show InChI InChI=1S/C16H8F3N3O2S/c17-16(18,19)14-20-15(22-21-14)25-13(23)12-9-8-11(24-12)7-6-10-4-2-1-3-5-10/h1-5,8-9H,(H,20,21,22)
PDB
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PubMed
n/an/an/a 170n/an/an/an/an/a



University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia





Citation and Details
More data for this
Ligand-Target Pair