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PubMed code 20405928

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
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


(Bacillus subtilis)		BDBM50318258
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCCCCCNC(=O)[C@@H](N)[C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O |r|
Show InChI InChI=1S/C28H49N5O10/c1-2-3-4-5-6-7-8-9-10-11-13-31-25(39)18(30)23(43-27-22(38)19(35)16(15-29)41-27)24-20(36)21(37)26(42-24)33-14-12-17(34)32-28(33)40/h12,14,16,18-24,26-27,35-38H,2-11,13,15,29-30H2,1H3,(H,31,39)(H,32,34,40)/t16-,18+,19-,20+,21-,22-,23+,24+,26-,27+/m1/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318262
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCNC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C29H49N5O12/c1-2-3-4-5-6-7-8-9-10-11-13-31-28(42)33-18(26(40)41)23(46-27-22(39)19(36)16(15-30)44-27)24-20(37)21(38)25(45-24)34-14-12-17(35)32-29(34)43/h12,14,16,18-25,27,36-39H,2-11,13,15,30H2,1H3,(H,40,41)(H2,31,33,42)(H,32,35,43)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 3.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318259
PNG
(6-Amino-5-O-(5-amino-5-deoxy-beta-D-ribofuranosyl)...)
Show SMILES CCCCCCCCc1ccc(NC(=O)[C@@H](N)[C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)cc1 |r|
Show InChI InChI=1S/C30H45N5O10/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-27(41)20(32)25(45-29-24(40)21(37)18(15-31)43-29)26-22(38)23(39)28(44-26)35-14-13-19(36)34-30(35)42/h9-14,18,20-26,28-29,37-40H,2-8,15,31-32H2,1H3,(H,33,41)(H,34,36,42)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,29+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318260
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCC(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C28H46N4O12/c1-2-3-4-5-6-7-8-9-10-11-16(33)30-18(26(39)40)23(44-27-22(38)19(35)15(14-29)42-27)24-20(36)21(37)25(43-24)32-13-12-17(34)31-28(32)41/h12-13,15,18-25,27,35-38H,2-11,14,29H2,1H3,(H,30,33)(H,39,40)(H,31,34,41)/t15-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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n/an/a 6.30E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318263
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(NC(=O)N[C@@H]([C@H](O[C@@H]2O[C@H](CN)[C@@H](O)[C@H]2O)[C@@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C31H45N5O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)33-30(44)35-20(28(42)43)25(48-29-24(41)21(38)18(15-32)46-29)26-22(39)23(40)27(47-26)36-14-13-19(37)34-31(36)45/h9-14,18,20-27,29,38-41H,2-8,15,32H2,1H3,(H,42,43)(H2,33,35,44)(H,34,37,45)/t18-,20+,21-,22+,23-,24-,25+,26-,27-,29+/m1/s1
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n/an/a 7.50E+4n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318261
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCc1ccc(cc1)C(=O)N[C@@H]([C@H](O[C@@H]1O[C@H](CN)[C@@H](O)[C@H]1O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc(=O)[nH]c1=O)C(O)=O |r|
Show InChI InChI=1S/C31H44N4O12/c1-2-3-4-5-6-7-8-16-9-11-17(12-10-16)27(41)34-20(29(42)43)25(47-30-24(40)21(37)18(15-32)45-30)26-22(38)23(39)28(46-26)35-14-13-19(36)33-31(35)44/h9-14,18,20-26,28,30,37-40H,2-8,15,32H2,1H3,(H,34,41)(H,42,43)(H,33,36,44)/t18-,20+,21-,22+,23-,24-,25+,26+,28-,30+/m1/s1
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n/an/a 2.56E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318254
PNG
((2R,4S,5S)-2-Aminopropyl-5-[(1R,2R,3R,4R)-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C31H52N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-22(37)35-23(17-15-19-32)43-27(24(35)30(40)41)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)42/h18,20,23-29,38-39H,2-17,19,32H2,1H3,(H,40,41)(H,33,36,42)/t23-,24+,25+,26-,27+,28+,29-/m1/s1
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n/an/a 3.60E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318253
PNG
((2R,4S,5S)-2-Aminoethyl-5-[(1R,2R,3R,4R)-2,3-dihyd...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C30H50N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(36)34-22(16-18-31)42-26(23(34)29(39)40)27-24(37)25(38)28(43-27)33-19-17-20(35)32-30(33)41/h17,19,22-28,37-38H,2-16,18,31H2,1H3,(H,39,40)(H,32,35,41)/t22-,23+,24+,25-,26+,27+,28-/m1/s1
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n/an/a 4.51E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318252
PNG
((2R,4S,5S)-2-Aminomethyl-5-[(1R,2R,3R,4R)-2,3-dihy...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(O)=O |r|
Show InChI InChI=1S/C29H48N4O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(35)33-21(18-30)41-25(22(33)28(38)39)26-23(36)24(37)27(42-26)32-17-16-19(34)31-29(32)40/h16-17,21-27,36-37H,2-15,18,30H2,1H3,(H,38,39)(H,31,34,40)/t21-,22+,23+,24-,25+,26+,27-/m1/s1
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n/an/a 7.40E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318256
PNG
((2R,4S,5S)-Methyl 2-Aminoethyl-5-[(1R,2R,3R,4R)-2,...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC |r|
Show InChI InChI=1S/C31H52N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(37)35-23(17-19-32)43-27(24(35)30(40)42-2)28-25(38)26(39)29(44-28)34-20-18-21(36)33-31(34)41/h18,20,23-29,38-39H,3-17,19,32H2,1-2H3,(H,33,36,41)/t23-,24+,25+,26-,27+,28+,29-/m1/s1
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n/an/a 9.20E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318255
PNG
((2R,4S,5S)-Methyl-2-Aminomethyl-5-[(1R,2R,3R,4R)-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC |r|
Show InChI InChI=1S/C30H50N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(36)34-22(19-31)42-26(23(34)29(39)41-2)27-24(37)25(38)28(43-27)33-18-17-20(35)32-30(33)40/h17-18,22-28,37-38H,3-16,19,31H2,1-2H3,(H,32,35,40)/t22-,23+,24+,25-,26+,27+,28-/m1/s1
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n/an/a 9.80E+5n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)		BDBM50318257
PNG
((2R,4S,5S)-Methyl 2-Aminopropyl-5-[(1R,2R,3R,4R)-2...)
Show SMILES CCCCCCCCCCCCCCCC(=O)N1[C@@H](CCCN)O[C@H]([C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H]1C(=O)OC |r|
Show InChI InChI=1S/C32H54N4O9/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-17-23(38)36-24(18-16-20-33)44-28(25(36)31(41)43-2)29-26(39)27(40)30(45-29)35-21-19-22(37)34-32(35)42/h19,21,24-30,39-40H,3-18,20,33H2,1-2H3,(H,34,37,42)/t24-,25+,26+,27-,28+,29+,30-/m1/s1
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n/an/a 1.20E+6n/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Bacillus subtilis MraY after 30 mins using UDP-MurNAc-pentapeptide as substrate

J Med Chem 53: 3793-813 (2010)


Article DOI: 10.1021/jm100243n
BindingDB Entry DOI: 10.7270/Q2B8589Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%