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Found 16 hits Enz. Inhib. hit(s) with Target = 'UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)' AND taxid = 760826   
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
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137758
PNG
(2,4-Dichloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6...)
Show SMILES Oc1ccc(cc1)C1CCc2c(C1)sc(NC(=O)c1cc(c(Cl)cc1Cl)S(=O)(=O)N1CCOCC1)c2C#N
Show InChI InChI=1S/C26H23Cl2N3O5S2/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/h1-2,4-5,12-13,16,32H,3,6-11H2,(H,30,33)
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n/an/a 22n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137786
PNG
(2,4-Dichloro-N-[3-cyano-6-(4-hydroxy-phenyl)-4,5,6...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CC(CCc3c2C#N)c2ccc(O)cc2)c(Cl)cc1Cl
Show InChI InChI=1S/C26H25Cl2N3O4S2/c1-3-31(4-2)37(34,35)24-12-19(21(27)13-22(24)28)25(33)30-26-20(14-29)18-10-7-16(11-23(18)36-26)15-5-8-17(32)9-6-15/h5-6,8-9,12-13,16,32H,3-4,7,10-11H2,1-2H3,(H,30,33)
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n/an/a 70n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137760
PNG
(2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C19H17Cl2N3O4S2/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/h8-9H,1-7H2,(H,23,25)
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n/an/a 300n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137775
PNG
(2,4-DICHLORO-N-(3-CYANO-4,5,6,7-TETRAHYDRO-BENZOTH...)
Show SMILES Clc1cc(Cl)c(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C20H19Cl2N3O4S2/c21-15-10-16(22)18(31(27,28)25-5-7-29-8-6-25)9-13(15)19(26)24-20-14(11-23)12-3-1-2-4-17(12)30-20/h9-10H,1-8H2,(H,24,26)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81626
PNG
(MurF inhibitor, 5)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCCc2c1C#N)S(=O)(=O)N1CCCCC1
Show InChI InChI=1S/C21H22ClN3O3S2/c22-18-9-8-14(30(27,28)25-10-4-1-5-11-25)12-16(18)20(26)24-21-17(13-23)15-6-2-3-7-19(15)29-21/h8-9,12H,1-7,10-11H2,(H,24,26)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137780
PNG
(2,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[...)
Show SMILES CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2sc3CCCc3c2C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C19H19Cl2N3O3S2/c1-3-24(4-2)29(26,27)17-8-12(14(20)9-15(17)21)18(25)23-19-13(10-22)11-6-5-7-16(11)28-19/h8-9H,3-7H2,1-2H3,(H,23,25)
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n/an/a 5.20E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81630
PNG
(MurF inhibitor, 14)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc(CCc2ccccn2)cc1C#N)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C23H21ClN4O4S2/c24-21-7-6-19(34(30,31)28-9-11-32-12-10-28)14-20(21)22(29)27-23-16(15-25)13-18(33-23)5-4-17-3-1-2-8-26-17/h1-3,6-8,13-14H,4-5,9-12H2,(H,27,29)
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n/an/a 6.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137778
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O3S2/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/h8-10H,3-7H2,1-2H3,(H,22,24)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81624
PNG
(MurF inhibitor, 3)
Show SMILES Clc1ccc(cc1C(=O)Nc1sc2CCCc2c1C#N)S(=O)(=O)C1CCOCC1
Show InChI InChI=1S/C20H19ClN2O4S2/c21-17-5-4-13(29(25,26)12-6-8-27-9-7-12)10-15(17)19(24)23-20-16(11-22)14-2-1-3-18(14)28-20/h4-5,10,12H,1-3,6-9H2,(H,23,24)
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n/an/a 9.00E+3n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81629
PNG
(MurF inhibitor, 13)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc(Br)cc1C#N
Show InChI InChI=1S/C16H15BrClN3O3S2/c1-3-21(4-2)26(23,24)11-5-6-13(18)12(8-11)15(22)20-16-10(9-19)7-14(17)25-16/h5-8H,3-4H2,1-2H3,(H,20,22)
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n/an/a 1.26E+4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137766
PNG
(2-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C16H14ClN3O3S2/c1-19-25(22,23)9-5-6-13(17)11(7-9)15(21)20-16-12(8-18)10-3-2-4-14(10)24-16/h5-7,19H,2-4H2,1H3,(H,20,21)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81625
PNG
(MurF inhibitor, 4)
Show SMILES OCCCCNS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C19H20ClN3O4S2/c20-16-7-6-12(29(26,27)22-8-1-2-9-24)10-14(16)18(25)23-19-15(11-21)13-4-3-5-17(13)28-19/h6-7,10,22,24H,1-5,8-9H2,(H,23,25)
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n/an/a 2.20E+4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137767
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES CNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C20H21ClN4O4S2/c1-23-16-10-15(21)13(9-18(16)31(27,28)25-5-7-29-8-6-25)19(26)24-20-14(11-22)12-3-2-4-17(12)30-20/h9-10,23H,2-8H2,1H3,(H,24,26)
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n/an/a 6.20E+4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81627
PNG
(MurF inhibitor, 6)
Show SMILES NS(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C15H12ClN3O3S2/c16-12-5-4-8(24(18,21)22)6-10(12)14(20)19-15-11(7-17)9-2-1-3-13(9)23-15/h4-6H,1-3H2,(H,19,20)(H2,18,21,22)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM50137755
PNG
(2-Chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]th...)
Show SMILES OCCCNc1cc(Cl)c(cc1S(=O)(=O)N1CCOCC1)C(=O)Nc1sc2CCCc2c1C#N
Show InChI InChI=1S/C22H25ClN4O5S2/c23-17-12-18(25-5-2-8-28)20(34(30,31)27-6-9-32-10-7-27)11-15(17)21(29)26-22-16(13-24)14-3-1-4-19(14)33-22/h11-12,25,28H,1-10H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair
UDP-N-acetylmuramoyl-tripeptide--D-alanyl-D-alanine ligase (MurF)


(Streptococcus pneumoniae)
BDBM81628
PNG
(MurF inhibitor, 12)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(Cl)c(c1)C(=O)Nc1sccc1C#N
Show InChI InChI=1S/C16H16ClN3O3S2/c1-3-20(4-2)25(22,23)12-5-6-14(17)13(9-12)15(21)19-16-11(10-18)7-8-24-16/h5-9H,3-4H2,1-2H3,(H,19,21)
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n/an/a 1.51E+5n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Inhibition of D-Ala-D-Ala adding enzyme (MurF) from Streptococcus pneumoniase.


Citation and Details
More data for this
Ligand-Target Pair