Found 14 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097061
(1-{5-[1-(5-Aminomethyl-3,4-dihydroxy-tetrahydro-fu...)Show SMILES NC[C@H]1O[C@@H](OC(CO)[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C15H23N3O10/c16-3-5-8(21)11(24)14(26-5)27-6(4-19)12-9(22)10(23)13(28-12)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4,16H2,(H,17,20,25)/t5-,6?,8-,9+,10-,11-,12-,13-,14+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097058
(1-[5-[5-amino(imino)methylaminomethyl-3,4-dihydrox...)Show SMILES NC(N)=NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O |wU:12.17,7.7,10.9,5.4,wD:13.13,25.27,15.16,27.30,(.69,-8.14,;2.2,-7.74,;2.6,-9.25,;2.2,-6.21,;3.31,-5.14,;4.82,-5.6,;6.02,-4.65,;7.29,-5.55,;9.09,-4.56,;10.53,-3.92,;12.04,-4.49,;13.26,-3.54,;14.51,-4.37,;14.11,-5.85,;15.08,-7.06,;12.58,-5.9,;11.7,-7.18,;15.74,-3.4,;15.5,-1.89,;16.7,-.93,;18.14,-1.49,;19.39,-.55,;18.38,-3.02,;17.15,-3.97,;17.41,-5.49,;6.82,-7.01,;7.79,-8.26,;5.29,-7.01,;4.39,-8.26,)| Show InChI InChI=1S/C15H23N5O9/c16-14(17)18-3-5-8(22)11(25)13(29-5)27-4-6-9(23)10(24)12(28-6)20-2-1-7(21)19-15(20)26/h1-2,5-6,8-13,22-25H,3-4H2,(H4,16,17,18)(H,19,21,26)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1 | PDB
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| CHEMBL
PC cid
PC sid
UniChem
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| n/a | n/a | 2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097053
(1-[5-[3,4-dihydroxy-5-iminomethylaminomethyl-(2R,3...)Show SMILES O[C@@H]1[C@@H](CNC=N)O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O Show InChI InChI=1S/C15H22N4O9/c16-5-17-3-6-9(21)12(24)14(28-6)26-4-7-10(22)11(23)13(27-7)19-2-1-8(20)18-15(19)25/h1-2,5-7,9-14,21-24H,3-4H2,(H2,16,17)(H,18,20,25)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097055
(1-[5-[3,4-dihydroxy-5-methylaminomethyl-(2R,3R,4R,...)Show SMILES CNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C15H23N3O9/c1-16-4-6-9(20)12(23)14(27-6)25-5-7-10(21)11(22)13(26-7)18-3-2-8(19)17-15(18)24/h2-3,6-7,9-14,16,20-23H,4-5H2,1H3,(H,17,19,24)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1 | PDB
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PC cid
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| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50091506
(1-[(2R,3R,4S,5R)-5-((2R,3R,4S,5R)-5-Aminomethyl-3,...)Show SMILES NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C14H21N3O9/c15-3-5-8(19)11(22)13(26-5)24-4-6-9(20)10(21)12(25-6)17-2-1-7(18)16-14(17)23/h1-2,5-6,8-13,19-22H,3-4,15H2,(H,16,18,23)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097060
(1-[5-[5-hexylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)Show SMILES CCCCCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C20H33N3O9/c1-2-3-4-5-7-21-9-11-14(25)17(28)19(32-11)30-10-12-15(26)16(27)18(31-12)23-8-6-13(24)22-20(23)29/h6,8,11-12,14-19,21,25-28H,2-5,7,9-10H2,1H3,(H,22,24,29)/t11-,12-,14-,15-,16-,17-,18-,19-/m1/s1 | PDB
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| n/a | n/a | 1.30E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097063
(1-[5-[3,4-dihydroxy-5-propylaminomethyl-(2R,3R,4R,...)Show SMILES CCCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C17H27N3O9/c1-2-4-18-6-8-11(22)14(25)16(29-8)27-7-9-12(23)13(24)15(28-9)20-5-3-10(21)19-17(20)26/h3,5,8-9,11-16,18,22-25H,2,4,6-7H2,1H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1 | PDB
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| n/a | n/a | 1.40E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097052
(1-[5-[5-ethylaminomethyl-3,4-dihydroxy-(2R,3R,4R,5...)Show SMILES CCNC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C16H25N3O9/c1-2-17-5-7-10(21)13(24)15(28-7)26-6-8-11(22)12(23)14(27-8)19-4-3-9(20)18-16(19)25/h3-4,7-8,10-15,17,21-24H,2,5-6H2,1H3,(H,18,20,25)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1 | PDB
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PC cid
PC sid
UniChem
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| n/a | n/a | 1.50E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097057
(1-[5-[3,4-dihydroxy-5-isopropylaminomethyl-(2R,3R,...)Show SMILES CC(C)NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C17H27N3O9/c1-7(2)18-5-8-11(22)14(25)16(29-8)27-6-9-12(23)13(24)15(28-9)20-4-3-10(21)19-17(20)26/h3-4,7-9,11-16,18,22-25H,5-6H2,1-2H3,(H,19,21,26)/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1 | PDB
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| n/a | n/a | 1.80E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097054
(5-[5-(2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidinyl)-...)Show SMILES C[N+](C)(C)C[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C17H27N3O9/c1-20(2,3)6-8-11(22)14(25)16(29-8)27-7-9-12(23)13(24)15(28-9)19-5-4-10(21)18-17(19)26/h4-5,8-9,11-16,22-25H,6-7H2,1-3H3/p+1/t8-,9-,11-,12-,13-,14-,15-,16-/m1/s1 | PDB
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Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097059
(1-[5-[3,4-dihydroxy-5-hydroxymethyl-(2R,3R,4R,5R)-...)Show SMILES OC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C14H20N2O10/c17-3-5-8(19)11(22)13(26-5)24-4-6-9(20)10(21)12(25-6)16-2-1-7(18)15-14(16)23/h1-2,5-6,8-13,17,19-22H,3-4H2,(H,15,18,23)/t5-,6-,8-,9-,10-,11-,12-,13-/m1/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097062
(CHEMBL151269 | N-[5-[5-(2,4-dioxo-1,2,3,4-tetrahyd...)Show SMILES O[C@@H]1[C@@H](CNC=O)O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@@H]1O Show InChI InChI=1S/C15H21N3O10/c19-5-16-3-6-9(21)12(24)14(28-6)26-4-7-10(22)11(23)13(27-7)18-2-1-8(20)17-15(18)25/h1-2,5-7,9-14,21-24H,3-4H2,(H,16,19)(H,17,20,25)/t6-,7-,9-,10-,11-,12-,13-,14-/m1/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097051
(1-[5-[5-dimethylaminomethyl-3,4-dihydroxy-(2R,3R,4...)Show SMILES CN(C)C[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C16H25N3O9/c1-18(2)5-7-10(21)13(24)15(28-7)26-6-8-11(22)12(23)14(27-8)19-4-3-9(20)17-16(19)25/h3-4,7-8,10-15,21-24H,5-6H2,1-2H3,(H,17,20,25)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
Phospho-N-acetylmuramoyl-pentapeptide-transferase
(Escherichia coli (strain K12)) | BDBM50097056
(1N-[5-[5-(2,4-dioxo-1,2,3,4-tetrahydro-1-pyrimidin...)Show SMILES CC(=O)NC[C@H]1O[C@@H](OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2ccc(=O)[nH]c2=O)[C@H](O)[C@@H]1O Show InChI InChI=1S/C16H23N3O10/c1-6(20)17-4-7-10(22)13(25)15(29-7)27-5-8-11(23)12(24)14(28-8)19-3-2-9(21)18-16(19)26/h2-3,7-8,10-15,22-25H,4-5H2,1H3,(H,17,20)(H,18,21,26)/t7-,8-,10-,11-,12-,13-,14-,15-/m1/s1 | PDB
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| n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
Aventis Pharma
Curated by ChEMBL
| Assay Description
Inhibition of E. coli Translocase (mraY) |
Bioorg Med Chem Lett 11: 529-31 (2001)
BindingDB Entry DOI: 10.7270/Q2ZK5FXJ |
More data for this
Ligand-Target Pair | |
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