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Found 24 hits Enz. Inhib. hit(s) with Target = 'MurF' 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
MurF


(Escherichia coli)
BDBM119114
PNG
(MurF inhibitor (compound 56))
Show SMILES Oc1ccc(cc1)[C@@H]1CCC2C(C1)SC(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)=C2C#N
Show InChI InChI=1S/C26H25Cl2N3O5S2/c27-21-13-22(28)24(38(34,35)31-7-9-36-10-8-31)12-19(21)25(33)30-26-20(14-29)18-6-3-16(11-23(18)37-26)15-1-4-17(32)5-2-15/h1-2,4-5,12-13,16,18,23,32H,3,6-11H2,(H,30,33)/t16-,18?,23?/m1/s1
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n/an/a 22n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119113
PNG
(MurF inhibitor (compound 55))
Show SMILES Clc1cc(Cl)c(cc1C(=O)NC1=C(C#N)C2CCCC2S1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H19Cl2N3O4S2/c20-14-9-15(21)17(30(26,27)24-4-6-28-7-5-24)8-12(14)18(25)23-19-13(10-22)11-2-1-3-16(11)29-19/h8-9,11,16H,1-7H2,(H,23,25)
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n/an/a 1.00E+3n/an/an/an/an/an/a



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





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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119123
PNG
(MurD/E/F inhibitor (compound 69))
Show SMILES Oc1ccc(C=C2SC(S)=NC2=O)c(O)c1O
Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(15)11-10(16)17-6/h1-3,12-14H,(H,11,15,16)
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n/an/a 2.00E+3n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119119
PNG
(MurF inhibitor (compound 61))
Show SMILES NC(=N)c1ccc(NC(=O)c2cnc(Nc3nc(cs3)-c3cccc(c3)C(F)(F)F)nc2C(F)(F)F)cc1
Show InChI InChI=1S/C23H15F6N7OS/c24-22(25,26)13-3-1-2-12(8-13)16-10-38-21(34-16)36-20-32-9-15(17(35-20)23(27,28)29)19(37)33-14-6-4-11(5-7-14)18(30)31/h1-10H,(H3,30,31)(H,33,37)(H,32,34,35,36)
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n/an/a 2.50E+3n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119112
PNG
(MurF inhibitor (compound 54))
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)NC1=C(C#N)C2CCCC2S1
Show InChI InChI=1S/C19H22ClN3O3S2/c1-3-23(4-2)28(25,26)12-8-9-16(20)14(10-12)18(24)22-19-15(11-21)13-6-5-7-17(13)27-19/h8-10,13,17H,3-7H2,1-2H3,(H,22,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119120
PNG
(MurF inhibitor (compound 62))
Show SMILES COc1ccc(cc1OC)C(NC(=O)c1ccccc1)c1ccc2cccnc2c1O
Show InChI InChI=1S/C25H22N2O4/c1-30-20-13-11-18(15-21(20)31-2)22(27-25(29)17-7-4-3-5-8-17)19-12-10-16-9-6-14-26-23(16)24(19)28/h3-15,22,28H,1-2H3,(H,27,29)
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n/an/a 1.60E+4n/an/an/an/an/an/a



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





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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119116
PNG
(MurF inhibitor (compound 58))
Show SMILES NC(N)=[NH+]CCOc1ccc(Cl)c(c1)C(=O)NC1=C(C#N)C2CCN(Cc3ccc(O)cc3)CC2S1
Show InChI InChI=1S/C25H27ClN6O3S/c26-21-6-5-17(35-10-8-30-25(28)29)11-19(21)23(34)31-24-20(12-27)18-7-9-32(14-22(18)36-24)13-15-1-3-16(33)4-2-15/h1-6,11,18,22,33H,7-10,13-14H2,(H,31,34)(H4,28,29,30)/p+1
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n/an/a 2.50E+4n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119121
PNG
(MurF inhibitor (compound 63))
Show SMILES COc1ccc2nc(OC)c(cc2c1)[C@@H](c1ccccc1)[C@@](O)(CCN(C)C)CCc1ccccc1
Show InChI InChI=1S/C31H36N2O3/c1-33(2)20-19-31(34,18-17-23-11-7-5-8-12-23)29(24-13-9-6-10-14-24)27-22-25-21-26(35-3)15-16-28(25)32-30(27)36-4/h5-16,21-22,29,34H,17-20H2,1-4H3/t29-,31+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119118
PNG
(MurF inhibitor (compound 60))
Show SMILES Clc1cnn(COc2cccc(c2)C(=O)NC2=C(C#C)C3CCCC3S2)c1
Show InChI InChI=1S/C20H18ClN3O2S/c1-2-16-17-7-4-8-18(17)27-20(16)23-19(25)13-5-3-6-15(9-13)26-12-24-11-14(21)10-22-24/h1,3,5-6,9-11,17-18H,4,7-8,12H2,(H,23,25)
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n/an/a 5.60E+4n/an/an/an/an/an/a



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





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Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119115
PNG
(MurF inhibitor (compound 57))
Show SMILES Oc1cccc(CN2CCC3C(C2)SC(NC(=O)c2cc(c(Cl)cc2Cl)S(=O)(=O)N2CCOCC2)=C3C#N)c1
Show InChI InChI=1S/C26H26Cl2N4O5S2/c27-21-12-22(28)24(39(35,36)32-6-8-37-9-7-32)11-19(21)25(34)30-26-20(13-29)18-4-5-31(15-23(18)38-26)14-16-2-1-3-17(33)10-16/h1-3,10-12,18,23,33H,4-9,14-15H2,(H,30,34)
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n/an/a 8.10E+4n/an/an/an/an/an/a



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





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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046818
PNG
(CHEMBL3310464)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Cl)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H18ClN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+
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n/an/a 8.90E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046819
PNG
(CHEMBL3310465)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(Br)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H18BrN3O5S/c1-12-7-14(11-20-21(29)27-24(34-20)26-18-5-3-17(25)4-6-18)13(2)28(12)19-9-15(22(30)31)8-16(10-19)23(32)33/h3-11H,1-2H3,(H,30,31)(H,32,33)(H,26,27,29)/b20-11+
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n/an/a 1.02E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM85277
PNG
(HEA derivative, 7d)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1cccc(c1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-2-1-3-13(8-11)28(23,24)18-9-12(26-27(20,21)22)10-19-4-6-25-7-5-19/h1-3,8,12,18H,4-7,9-10H2,(H2,20,21,22)
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n/an/a 1.50E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046814
PNG
(CHEMBL3310462)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccc(C)cc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H21N3O5S/c1-13-4-6-19(7-5-13)26-25-27-22(29)21(34-25)12-16-8-14(2)28(15(16)3)20-10-17(23(30)31)9-18(11-20)24(32)33/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+
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n/an/a 2.01E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM85276
PNG
(HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)
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n/an/a 2.40E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM85276
PNG
(HEA derivative, 7c | MurC/D/E/F inhibitor (compoun...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(cc1)C(F)(F)F)CN1CCOCC1
Show InChI InChI=1S/C14H20F3N2O7PS/c15-14(16,17)11-1-3-13(4-2-11)28(23,24)18-9-12(26-27(20,21)22)10-19-5-7-25-8-6-19/h1-4,12,18H,5-10H2,(H2,20,21,22)
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n/an/a 2.40E+5n/an/an/an/an/an/a



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





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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50248218
PNG
(1-(4-Fluorophenylsulfonamido)-3-morpholinopropan-2...)
Show SMILES OP(O)(=O)OC(CNS(=O)(=O)c1ccc(F)cc1)CN1CCOCC1
Show InChI InChI=1S/C13H20FN2O7PS/c14-11-1-3-13(4-2-11)25(20,21)15-9-12(23-24(17,18)19)10-16-5-7-22-8-6-16/h1-4,12,15H,5-10H2,(H2,17,18,19)
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n/an/a 2.70E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046817
PNG
(CHEMBL3310463)
Show SMILES COc1ccc(cc1)\N=C1/NC(=O)\C(S1)=C/c1cc(C)n(c1C)-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H21N3O6S/c1-13-8-15(14(2)28(13)19-10-16(23(30)31)9-17(11-19)24(32)33)12-21-22(29)27-25(35-21)26-18-4-6-20(34-3)7-5-18/h4-12H,1-3H3,(H,30,31)(H,32,33)(H,26,27,29)/b21-12+
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n/an/a 2.81E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046815
PNG
(CHEMBL3310461)
Show SMILES Cc1cc(\C=C2\S\C(NC2=O)=N\c2ccccc2)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C24H19N3O5S/c1-13-8-15(12-20-21(28)26-24(33-20)25-18-6-4-3-5-7-18)14(2)27(13)19-10-16(22(29)30)9-17(11-19)23(31)32/h3-12H,1-2H3,(H,29,30)(H,31,32)(H,25,26,28)/b20-12+
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n/an/a 2.98E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50046823
PNG
(CHEMBL3310457)
Show SMILES Cc1cc(\C=C2\C(=O)NC(=S)N(C2=O)c2ccccc2F)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C25H18FN3O6S/c1-12-7-14(13(2)28(12)17-9-15(23(32)33)8-16(10-17)24(34)35)11-18-21(30)27-25(36)29(22(18)31)20-6-4-3-5-19(20)26/h3-11H,1-2H3,(H,32,33)(H,34,35)(H,27,30,36)/b18-11-
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n/an/a 3.44E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli MurF after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM85279
PNG
(HEA derivative, 7f)
Show SMILES CCc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C15H25N2O7PS/c1-2-13-3-5-15(6-4-13)26(21,22)16-11-14(24-25(18,19)20)12-17-7-9-23-10-8-17/h3-6,14,16H,2,7-12H2,1H3,(H2,18,19,20)
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n/an/a 3.60E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM119117
PNG
(MurF inhibitor (compound 59))
Show SMILES OCCc1ccccc1Nc1nc(Cl)nc(Cl)n1
Show InChI InChI=1S/C11H10Cl2N4O/c12-9-15-10(13)17-11(16-9)14-8-4-2-1-3-7(8)5-6-18/h1-4,18H,5-6H2,(H,14,15,16,17)
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n/an/a 4.50E+5n/an/an/an/an/an/a



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





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More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM50248217
PNG
(1-(4-Methoxyphenylsulfonamido)-3-morpholinopropan-...)
Show SMILES COc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C14H23N2O8PS/c1-22-12-2-4-14(5-3-12)26(20,21)15-10-13(24-25(17,18)19)11-16-6-8-23-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.30E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Citation and Details
More data for this
Ligand-Target Pair
MurF


(Escherichia coli)
BDBM85278
PNG
(HEA derivative, 7e)
Show SMILES Cc1ccc(cc1)S(=O)(=O)NCC(CN1CCOCC1)OP(O)(O)=O
Show InChI InChI=1S/C14H23N2O7PS/c1-12-2-4-14(5-3-12)25(20,21)15-10-13(23-24(17,18)19)11-16-6-8-22-9-7-16/h2-5,13,15H,6-11H2,1H3,(H2,17,18,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 5.60E+5n/an/an/an/a8.037



University of Ljubljana



Assay Description
Compounds were tested for their inhibition of the addition of L-Ala, D-Glu, L-Lys or D-Ala-D-Ala to nucleotide precursors catalyzed by MurC from Esch...


Citation and Details
More data for this
Ligand-Target Pair