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PubMed code 24900205

Compile data set for download or QSAR
Found 5 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)
BDBM50343928
PNG
(CHEMBL1780216 | Muraymycin D2)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[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
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17-,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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PubMed
n/an/a 10n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343929
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[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
Show InChI InChI=1S/C37H61N11O16/c1-14(2)12-17(43-30(55)21(16-6-10-42-35(39)44-16)47-36(60)46-20(15(3)4)32(56)57)29(54)41-9-5-8-40-22(33(58)59)27(64-34-26(53)23(50)18(13-38)62-34)28-24(51)25(52)31(63-28)48-11-7-19(49)45-37(48)61/h7,11,14-18,20-28,31,34,40,50-53H,5-6,8-10,12-13,38H2,1-4H3,(H,41,54)(H,43,55)(H,56,57)(H,58,59)(H3,39,42,44)(H,45,49,61)(H2,46,47,60)/t16-,17+,18+,20-,21-,22-,23+,24-,25+,26+,27-,28-,31+,34-/m0/s1
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PubMed
n/an/a 90n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343930
PNG
((2S,6S,9S,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[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
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28-,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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PubMed
n/an/a 330n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343931
PNG
((2S,6S,9R,16S)-16-((S)-((2S,3R,4S,5R)-5-(aminometh...)
Show SMILES CCCCCCCCCCCCCCC[C@@H](NC(=O)[C@@H](NC(=O)N[C@@H](C(C)C)C(O)=O)[C@@H]1CCN=C(N)N1)C(=O)NCCCN[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
Show InChI InChI=1S/C48H83N11O16/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28(54-41(66)32(27-19-23-53-46(50)55-27)58-47(71)57-31(26(2)3)43(67)68)40(65)52-22-17-21-51-33(44(69)70)38(75-45-37(64)34(61)29(25-49)73-45)39-35(62)36(63)42(74-39)59-24-20-30(60)56-48(59)72/h20,24,26-29,31-39,42,45,51,61-64H,4-19,21-23,25,49H2,1-3H3,(H,52,65)(H,54,66)(H,67,68)(H,69,70)(H3,50,53,55)(H,56,60,72)(H2,57,58,71)/t27-,28+,29+,31-,32-,33-,34+,35-,36+,37+,38-,39-,42+,45-/m0/s1
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PubMed
n/an/a 740n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
Phospho-N-acetylmuramoyl-pentapeptide-transferase


(Bacillus subtilis)
BDBM50343932
PNG
(5-O-(5-Amino-5-deoxy-beta-D-ribofuranosyl)-6-deoxy...)
Show SMILES CCCCCCCCCCCCN[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
Show InChI InChI=1S/C28H48N4O11/c1-2-3-4-5-6-7-8-9-10-11-13-30-18(26(38)39)23(43-27-22(37)19(34)16(15-29)41-27)24-20(35)21(36)25(42-24)32-14-12-17(33)31-28(32)40/h12,14,16,18-25,27,30,34-37H,2-11,13,15,29H2,1H3,(H,38,39)(H,31,33,40)/t16-,18+,19-,20+,21-,22-,23+,24+,25-,27+/m1/s1
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PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of purified Bacillus subtilis MraY assessed as incorporation of MurNAc-[14C]pentapeptide into lipid 1 after 30 mins


ACS Med Chem Lett 1: 258-262 (2010)


Article DOI: 10.1021/ml100057z
BindingDB Entry DOI: 10.7270/Q20Z73KS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%