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Found 40 hits Enz. Inhib. hit(s) with Target = 'MurC'   
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
MurC


(Escherichia coli)
BDBM123124
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCc3cc(=O)c(O)cn3O)c3ccccc3)nc3[nH]ncc23)cc1C(C)(C)C
Show InChI InChI=1S/C27H32N10O6/c1-27(2,3)22-11-23(33-36(22)4)31-24-21-13-29-35-43(21)34-25(32-24)30-18(16-8-6-5-7-9-16)15-42-26(40)28-12-17-10-19(38)20(39)14-37(17)41/h5-11,13-14,18,35,39,41H,12,15H2,1-4H3,(H,28,40)(H2,30,31,32,33,34)/t18-/m0/s1
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n/an/a<1n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123114
PNG
((1R,2S)-1-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@H]3[C@@H](O)Cc4ccccc34)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C22H26N8O/c1-22(2,3)16-10-17(29-30(16)4)24-19-14-11-23-28-20(14)27-21(26-19)25-18-13-8-6-5-7-12(13)9-15(18)31/h5-8,10-11,15,18,31H,9H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-,18+/m0/s1
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n/an/a 2n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123125
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES CN1[C@H](CNC(=O)OC[C@H](Nc2nc(Nc3cc(n(C)n3)C(C)(C)C)c3c[nH]nc3n2)c2ccccc2)CNC1=O
Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-11-21(36-38(20)5)32-22-18-14-30-35-23(18)34-24(33-22)31-19(16-9-7-6-8-10-16)15-41-26(40)29-13-17-12-28-25(39)37(17)4/h6-11,14,17,19H,12-13,15H2,1-5H3,(H,28,39)(H,29,40)(H3,30,31,32,33,34,35,36)/t17-,19-/m0/s1
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n/an/a 3n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123122
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C24H31N9O3/c1-24(2,3)18-12-19(32-33(18)4)28-20-16-13-26-31-21(16)30-22(29-20)27-17(15-8-6-5-7-9-15)14-36-23(35)25-10-11-34/h5-9,12-13,17,34H,10-11,14H2,1-4H3,(H,25,35)(H3,26,27,28,29,30,31,32)/t17-/m0/s1
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n/an/a 3n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123123
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C24H32N10O2/c1-24(2,3)18-12-19(33-34(18)4)29-20-16-13-27-32-21(16)31-22(30-20)28-17(15-8-6-5-7-9-15)14-36-23(35)26-11-10-25/h5-9,12-13,17H,10-11,14,25H2,1-4H3,(H,26,35)(H3,27,28,29,30,31,32,33)/t17-/m0/s1
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n/an/a 4n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123118
PNG
((S)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3cccc(F)c3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H25FN8O/c1-21(2,3)16-9-17(29-30(16)4)25-18-14-10-23-28-19(14)27-20(26-18)24-15(11-31)12-6-5-7-13(22)8-12/h5-10,15,31H,11H2,1-4H3,(H3,23,24,25,26,27,28,29)/t15-/m1/s1
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n/an/a 4n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123111
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m0/s1
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n/an/a<5n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123127
PNG
((R)-((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)N3CCOC(CN)C3)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C27H36N10O3/c1-27(2,3)21-12-22(35-36(21)4)31-23-19-14-29-34-24(19)33-25(32-23)30-20(17-8-6-5-7-9-17)16-40-26(38)37-10-11-39-18(13-28)15-37/h5-9,12,14,18,20H,10-11,13,15-16,28H2,1-4H3,(H3,29,30,31,32,33,34,35)/t18?,20-/m0/s1
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n/an/a 5n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123112
PNG
((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@H](CO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C21H26N8O/c1-21(2,3)16-10-17(28-29(16)4)24-18-14-11-22-27-19(14)26-20(25-18)23-15(12-30)13-8-6-5-7-9-13/h5-11,15,30H,12H2,1-4H3,(H3,22,23,24,25,26,27,28)/t15-/m1/s1
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n/an/a 11n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123119
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES COc1cc(ccn1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C21H27N9O2/c1-21(2,3)15-9-16(29-30(15)4)25-18-13-10-23-28-19(13)27-20(26-18)24-14(11-31)12-6-7-22-17(8-12)32-5/h6-10,14,31H,11H2,1-5H3,(H3,23,24,25,26,27,28,29)/t14-/m0/s1
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n/an/a 15n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123117
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES COc1ccc(cc1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C22H28N8O2/c1-22(2,3)17-10-18(29-30(17)4)25-19-15-11-23-28-20(15)27-21(26-19)24-16(12-31)13-6-8-14(32-5)9-7-13/h6-11,16,31H,12H2,1-5H3,(H3,23,24,25,26,27,28,29)/t16-/m0/s1
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n/an/a 21n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123115
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccccn3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H25N9O/c1-20(2,3)15-9-16(28-29(15)4)24-17-12-10-22-27-18(12)26-19(25-17)23-14(11-30)13-7-5-6-8-21-13/h5-10,14,30H,11H2,1-4H3,(H3,22,23,24,25,26,27,28)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119081
PNG
(MurC inhibitor (compound 20))
Show SMILES CC(CP(O)(=O)CO[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(O)=O
Show InChI InChI=1S/C22H36N3O21P3/c1-9(20(32)33)7-47(35,36)8-41-18-14(23-10(2)27)21(44-11(5-26)16(18)30)45-49(39,40)46-48(37,38)42-6-12-15(29)17(31)19(43-12)25-4-3-13(28)24-22(25)34/h3-4,9,11-12,14-19,21,26,29-31H,5-8H2,1-2H3,(H,23,27)(H,32,33)(H,35,36)(H,37,38)(H,39,40)(H,24,28,34)/t9?,11-,12-,14-,15-,16-,17-,18-,19-,21?/m1/s1
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n/an/a 49n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123121
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NO)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C22H27N9O3/c1-22(2,3)16-10-17(29-31(16)4)25-18-14-11-23-28-19(14)27-20(26-18)24-15(12-34-21(32)30-33)13-8-6-5-7-9-13/h5-11,15,33H,12H2,1-4H3,(H,30,32)(H3,23,24,25,26,27,28,29)/t15-/m0/s1
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n/an/a 52n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123120
PNG
((R)-2-((4-((5-(tert-butyl)-1-methyl-1H-pyrazol-3-y...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](CO)c3ccncc3Cl)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H24ClN9O/c1-20(2,3)15-7-16(29-30(15)4)25-17-12-8-23-28-18(12)27-19(26-17)24-14(10-31)11-5-6-22-9-13(11)21/h5-9,14,31H,10H2,1-4H3,(H3,23,24,25,26,27,28,29)/t14-/m0/s1
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n/an/a 57n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123126
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cn1nc(Nc2nc(N[C@@H](COC(=O)NCCN3CCC(=O)N3)c3ccccc3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C27H35N11O3/c1-27(2,3)20-14-21(35-37(20)4)31-23-18-15-29-34-24(18)33-25(32-23)30-19(17-8-6-5-7-9-17)16-41-26(40)28-11-13-38-12-10-22(39)36-38/h5-9,14-15,19H,10-13,16H2,1-4H3,(H,28,40)(H,36,39)(H3,29,30,31,32,33,34,35)/t19-/m0/s1
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n/an/a 60n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123113
PNG
((S)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES Cc1cc(on1)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C19H25N9O2/c1-10-6-13(30-27-10)12(9-29)21-18-23-16(11-8-20-25-17(11)24-18)22-15-7-14(19(2,3)4)28(5)26-15/h6-8,12,29H,9H2,1-5H3,(H3,20,21,22,23,24,25,26)/t12-/m0/s1
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n/an/a 60n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123109
PNG
(2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylamino)-...)
Show SMILES Cn1nc(Nc2nc(NC(CO)C3CCOCC3)nc3n[nH]cc23)cc1C(C)(C)C
Show InChI InChI=1S/C20H30N8O2/c1-20(2,3)15-9-16(27-28(15)4)23-17-13-10-21-26-18(13)25-19(24-17)22-14(11-29)12-5-7-30-8-6-12/h9-10,12,14,29H,5-8,11H2,1-4H3,(H3,21,22,23,24,25,26,27)
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n/an/a 101n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM123110
PNG
((R)-2-(4-(5-tert-butyl-1-methyl-1H-pyrazol-3-ylami...)
Show SMILES CC(C)[C@H](CO)Nc1nc(Nc2cc(n(C)n2)C(C)(C)C)c2c[nH]nc2n1
Show InChI InChI=1S/C18H28N8O/c1-10(2)12(9-27)20-17-22-15(11-8-19-24-16(11)23-17)21-14-7-13(18(3,4)5)26(6)25-14/h7-8,10,12,27H,9H2,1-6H3,(H3,19,20,21,22,23,24,25)/t12-/m0/s1
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n/an/a 188n/an/an/an/an/a25



AstraZeneca India Pvt. Ltd.



Assay Description
The reactions (25 μL) were carried out in 25 mM Tris-HCl pH 8.0, 10 mM ammonium sulfate, 1.25 mM DTT, 0.002% Brij-35, 10 mM MgCl2, 40 μM UN...


ACS Chem Biol 9: 2274-82 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119083
PNG
(MurC inhibitor (compound 22))
Show SMILES Cc1ccc(s1)C(=O)NS(=O)(=O)c1ccc(cc1)-c1cc2cc(ccc2o1)-c1ccccc1
Show InChI InChI=1S/C26H19NO4S2/c1-17-7-14-25(32-17)26(28)27-33(29,30)22-11-8-19(9-12-22)24-16-21-15-20(10-13-23(21)31-24)18-5-3-2-4-6-18/h2-16H,1H3,(H,27,28)
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n/an/a 2.30E+3n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119082
PNG
(MurC inhibitor (compound 21))
Show SMILES [O-][N+](=O)c1ccc(SCc2ccc(Cl)cc2)c(\C=C2/CC(=S)NC2=O)c1
Show InChI InChI=1S/C18H13ClN2O3S2/c19-14-3-1-11(2-4-14)10-26-16-6-5-15(21(23)24)8-12(16)7-13-9-17(25)20-18(13)22/h1-8H,9-10H2,(H,20,22,25)/b13-7+
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n/an/a 2.70E+4n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119086
PNG
(MurC/D inhibitor (compound 25) | MurD inhibitor (c...)
Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1
Show InChI InChI=1S/C24H18BrN3O3S/c25-21-7-3-6-20(14-21)24(29)27-22-11-8-17(9-12-22)16-26-28-32(30,31)23-13-10-18-4-1-2-5-19(18)15-23/h1-16,28H,(H,27,29)
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n/an/a 3.00E+4n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119084
PNG
(MurC inhibitor (compound 23))
Show SMILES CC(Oc1nc2ccccc2nc1N)c1ccccc1
Show InChI InChI=1S/C16H15N3O/c1-11(12-7-3-2-4-8-12)20-16-15(17)18-13-9-5-6-10-14(13)19-16/h2-11H,1H3,(H2,17,18)
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n/an/a 3.02E+4n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119088
PNG
(MurC/D inhibitor (compound 27))
Show SMILES Oc1ccc(C=NNC(=O)c2cnc(s2)-c2ccccc2)c(O)c1O
Show InChI InChI=1S/C17H13N3O4S/c21-12-7-6-11(14(22)15(12)23)8-19-20-16(24)13-9-18-17(25-13)10-4-2-1-3-5-10/h1-9,21-23H,(H,20,24)
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n/an/a 3.20E+4n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(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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PubMed
n/an/a 4.10E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(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 4.40E+4n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(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 1.07E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119087
PNG
(MurC/D inhibitor (compound 26))
Show SMILES Oc1ccc(C=NNC(=O)c2[nH]nc3ccccc23)c(O)c1O
Show InChI InChI=1S/C15H12N4O4/c20-11-6-5-8(13(21)14(11)22)7-16-19-15(23)12-9-3-1-2-4-10(9)17-18-12/h1-7,20-22H,(H,17,18)(H,19,23)/b16-7+
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n/an/a 1.23E+5n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM50046816
PNG
(CHEMBL3310459)
Show SMILES Cc1cc(\C=C2\SC(=S)NC2=O)c(C)n1-c1cc(cc(c1)C(O)=O)C(O)=O
Show InChI InChI=1S/C18H14N2O5S2/c1-8-3-10(7-14-15(21)19-18(26)27-14)9(2)20(8)13-5-11(16(22)23)4-12(6-13)17(24)25/h3-7H,1-2H3,(H,22,23)(H,24,25)(H,19,21,26)/b14-7+
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n/an/a 1.33E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(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 1.72E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(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 2.00E+5n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(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 2.00E+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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair
MurC


(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 2.05E+5n/an/an/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


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


Bioorg Med Chem 22: 4124-34 (2014)

More data for this
Ligand-Target Pair
MurC


(Escherichia coli)
BDBM119085
PNG
(MurC inhibitor (compound 24))
Show SMILES CC(C)C[C@H](NS(=O)(=O)c1cccc(c1)[N+]([O-])=O)C(=O)NNS(=O)(=O)c1ccc2ccccc2c1
Show InChI InChI=1S/C22H24N4O7S2/c1-15(2)12-21(24-34(30,31)19-9-5-8-18(14-19)26(28)29)22(27)23-25-35(32,33)20-11-10-16-6-3-4-7-17(16)13-20/h3-11,13-15,21,24-25H,12H2,1-2H3,(H,23,27)/t21-/m0/s1
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n/an/a 2.45E+5n/an/an/an/an/an/a



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





Bioorg Chem 55: 2-15 (2014)

More data for this
Ligand-Target Pair
MurC


(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)
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n/an/a 4.90E+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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair
MurC


(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 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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair
MurC


(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)
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n/an/a 5.40E+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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair
MurC


(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 7.60E+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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair
MurC


(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 7.90E+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...


Bioorg Chem 37: 217-22 (2009)

More data for this
Ligand-Target Pair