Found 78 hits of ic50 for UniProtKB: P14900 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119097
(MurD inhibitor (compound 36))Show SMILES C[C@@H](O[C@H]1[C@H](O)[C@@H](CO)OC(OP(O)(=O)OP(O)(=O)OCC2OC(C(O)C2O)n2ccc(=O)[nH]c2=O)[C@@H]1NC(C)=O)C(=O)N[C@H](C)P(O)(=O)CC(CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C28H45N4O24P3/c1-11(24(41)30-13(3)57(45,46)10-14(26(42)43)4-5-18(36)37)52-23-19(29-12(2)34)27(54-15(8-33)21(23)39)55-59(49,50)56-58(47,48)51-9-16-20(38)22(40)25(53-16)32-7-6-17(35)31-28(32)44/h6-7,11,13-16,19-23,25,27,33,38-40H,4-5,8-10H2,1-3H3,(H,29,34)(H,30,41)(H,36,37)(H,42,43)(H,45,46)(H,47,48)(H,49,50)(H,31,35,44)/t11-,13+,14?,15-,16?,19-,20?,21-,22?,23-,25?,27?/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119123
(MurD/E/F inhibitor (compound 69))Show InChI InChI=1S/C10H7NO4S2/c12-5-2-1-4(7(13)8(5)14)3-6-9(15)11-10(16)17-6/h1-3,12-14H,(H,11,15,16) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119104
(MurD inhibitor (compound 46))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(CN(C(=O)CC(O)=O)c2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:26.25,c:30| Show InChI InChI=1S/C26H23N3O9S2/c30-20(12-22(33)34)29(17-6-4-14(5-7-17)11-19-24(36)28-26(39)40-19)13-15-2-1-3-16(10-15)23(35)27-18(25(37)38)8-9-21(31)32/h1-7,10-11,18H,8-9,12-13H2,(H,27,35)(H,31,32)(H,33,34)(H,37,38)(H,28,36,39)/t18-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119107
(MurD/E inhibitor (compound 49))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(NCc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119100
(MurD inhibitor (compound 42))Show SMILES OC(=O)c1ccc(NS(=O)(=O)c2ccc3cc(OCc4ccc(cc4F)C#N)ccc3c2)c(c1)C(O)=O Show InChI InChI=1S/C26H17FN2O7S/c27-23-9-15(13-28)1-2-19(23)14-36-20-6-3-17-11-21(7-4-16(17)10-20)37(34,35)29-24-8-5-18(25(30)31)12-22(24)26(32)33/h1-12,29H,14H2,(H,30,31)(H,32,33) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119105
(MurD inhibitor (compound 47))Show SMILES OC(=O)CC[C@H](NC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1)C(O)=O |r,w:13.12,c:17| Show InChI InChI=1S/C16H14N2O6S2/c19-12(20)6-5-10(15(22)23)17-13(21)9-3-1-8(2-4-9)7-11-14(25)18-16(24)26-11/h1-4,7,10H,5-6H2,(H,17,21)(H,19,20)(H,22,23)(H,18,24,25)/t10-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475586
(CHEMBL198030)Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1cc(Cl)cc(Cl)c1)c1cc(Cl)cc(Cl)c1 |t:1| Show InChI InChI=1S/C23H12Cl4O3/c24-16-6-14(7-17(25)10-16)13-3-1-12(2-4-13)5-20-22(28)21(23(29)30-20)15-8-18(26)11-19(27)9-15/h1-11,28H/b20-5- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475590
(CHEMBL370421)Show SMILES OC1=C(C(=O)O\C1=C/c1cc(ccc1F)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13F5O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)14-6-8-17(19(26)11-14)13-4-2-1-3-5-13/h1-12,30H/b20-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.35E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475579
(CHEMBL382202)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)-c1cccc(Cl)c1)c1cccc(Cl)c1 |t:1| Show InChI InChI=1S/C23H14Cl2O3/c24-18-8-2-6-16(12-18)15-5-1-4-14(10-15)11-20-22(26)21(23(27)28-20)17-7-3-9-19(25)13-17/h1-13,26H/b20-11- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.46E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM85276
(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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475601
(CHEMBL199812)Show SMILES OC1=C(C(=O)O\C1=C/c1cc(ccc1Cl)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13ClF4O3/c25-18-9-7-16(24(27,28)29)10-15(18)12-20-22(30)21(23(31)32-20)14-6-8-17(19(26)11-14)13-4-2-1-3-5-13/h1-12,30H/b20-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119086
(MurC/D inhibitor (compound 25) | MurD inhibitor (c...)Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1 |w:14.14| 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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119086
(MurC/D inhibitor (compound 25) | MurD inhibitor (c...)Show SMILES Brc1cccc(c1)C(=O)Nc1ccc(C=NNS(=O)(=O)c2ccc3ccccc3c2)cc1 |w:14.14| 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) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475607
(CHEMBL199629)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1Cl)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H13ClF4O3/c25-21-15(7-4-8-17(21)24(27,28)29)12-19-22(30)20(23(31)32-19)14-9-10-16(18(26)11-14)13-5-2-1-3-6-13/h1-12,30H/b19-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.47E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119122
(MurA/B/C/D/E inhibitor (compound 67))Show SMILES FC(F)(F)c1ccc(cc1)C1C(=O)OC(=Cc2cccc3ccccc23)C1=O |w:15.16| 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 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119106
(MurD inhibitor (compound 48))Show SMILES OC(=O)CC[C@@H](NC(=O)c1ccc(C=C2SC(O)=NC2=S)cc1)C(O)=O |r,w:13.12,c:17| Show InChI InChI=1S/C16H14N2O6S2/c19-12(20)6-5-10(15(22)23)17-13(21)9-3-1-8(2-4-9)7-11-14(25)18-16(24)26-11/h1-4,7,10H,5-6H2,(H,17,21)(H,19,20)(H,22,23)(H,18,24,25)/t10-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119103
(MurD inhibitor (compound 45))Show SMILES OC(=O)CC[C@@H](NC(=O)c1cccc(CNc2ccc(C=C3SC(S)=NC3=O)cc2)c1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-3-1-2-14(10-15)12-24-16-6-4-13(5-7-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475600
(CHEMBL381006)Show SMILES COc1ccccc1-c1ccc(\C=C2/OC(O)=C(C2=O)c2cc(Cl)cc(Cl)c2)cc1OC |c:17| Show InChI InChI=1S/C25H18Cl2O5/c1-30-20-6-4-3-5-18(20)19-8-7-14(9-21(19)31-2)10-22-24(28)23(25(29)32-22)15-11-16(26)13-17(27)12-15/h3-13,29H,1-2H3/b22-10- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475593
(CHEMBL199553)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(c(F)c1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H14F4O3/c25-19-13-16(9-10-18(19)15-6-2-1-3-7-15)21-22(29)20(31-23(21)30)12-14-5-4-8-17(11-14)24(26,27)28/h1-13,29H/b20-12- | PDB
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| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50046818
(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+ | PDB
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PubMed
| n/a | n/a | 6.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475595
(CHEMBL199757)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(cc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C24H15F3O3/c25-24(26,27)19-8-4-5-15(13-19)14-20-22(28)21(23(29)30-20)18-11-9-17(10-12-18)16-6-2-1-3-7-16/h1-14,28H/b20-14- | PDB
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| n/a | n/a | >6.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475584
(CHEMBL197817)Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1ccccc1)c1cccc2ccccc12 |t:1| Show InChI InChI=1S/C27H18O3/c28-26-24(17-18-13-15-20(16-14-18)19-7-2-1-3-8-19)30-27(29)25(26)23-12-6-10-21-9-4-5-11-22(21)23/h1-17,28H/b24-17- | PDB
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| n/a | n/a | >6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475602
(CHEMBL199929)Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(cc1)-c1ccccc1)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C27H18O3/c28-26-24(16-18-10-12-21(13-11-18)19-6-2-1-3-7-19)30-27(29)25(26)23-15-14-20-8-4-5-9-22(20)17-23/h1-17,28H/b24-16- | PDB
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| n/a | n/a | >6.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475606
(CHEMBL199580)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)17-7-3-4-13(10-17)11-18-20(26)19(21(27)28-18)16-9-8-14-5-1-2-6-15(14)12-16/h1-12,26H/b18-11- | PDB
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| n/a | n/a | >6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475598
(CHEMBL381658)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1cccc2ccccc12 |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)15-8-3-5-13(11-15)12-18-20(26)19(21(27)28-18)17-10-4-7-14-6-1-2-9-16(14)17/h1-12,26H/b18-12- | PDB
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| n/a | n/a | >6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475585
(CHEMBL381445)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc2ccccc12)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)16-9-4-8-15(11-16)19-20(26)18(28-21(19)27)12-14-7-3-6-13-5-1-2-10-17(13)14/h1-12,26H/b18-12- | PDB
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| n/a | n/a | >6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475583
(CHEMBL372594)Show SMILES OC1=C(C(=O)O\C1=C/c1ccc2ccccc2c1)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C22H13F3O3/c23-22(24,25)17-7-3-6-16(12-17)19-20(26)18(28-21(19)27)11-13-8-9-14-4-1-2-5-15(14)10-13/h1-12,26H/b18-11- | PDB
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| n/a | n/a | >6.53E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50046819
(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+ | PDB
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PubMed
| n/a | n/a | 6.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475594
(CHEMBL199962)Show SMILES OC1=C(C(=O)O\C1=C/c1ccc(Cl)cc1)c1ccc(cc1)-c1ccccc1 |t:1| Show InChI InChI=1S/C23H15ClO3/c24-19-12-6-15(7-13-19)14-20-22(25)21(23(26)27-20)18-10-8-17(9-11-18)16-4-2-1-3-5-16/h1-14,25H/b20-14- | PDB
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| n/a | n/a | >6.66E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475589
(CHEMBL199674)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc(c1)C(F)(F)F)c1ccc(Cl)cc1 |t:1| Show InChI InChI=1S/C18H10ClF3O3/c19-13-6-4-11(5-7-13)15-16(23)14(25-17(15)24)9-10-2-1-3-12(8-10)18(20,21)22/h1-9,23H/b14-9- | PDB
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| n/a | n/a | >6.81E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475581
(CHEMBL382548)Show SMILES COc1ccc(cc1)C1=C(O)O\C(=C/c2cccc(c2)C(F)(F)F)C1=O |c:9| Show InChI InChI=1S/C19H13F3O4/c1-25-14-7-5-12(6-8-14)16-17(23)15(26-18(16)24)10-11-3-2-4-13(9-11)19(20,21)22/h2-10,24H,1H3/b15-10- | PDB
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| PC cid
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| Article
PubMed
| n/a | n/a | 6.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475588
(CHEMBL197865)Show SMILES OC1=C(C(=O)O\C1=C/c1cccc2ccccc12)c1ccc(Cl)cc1 |t:1| Show InChI InChI=1S/C21H13ClO3/c22-16-10-8-14(9-11-16)19-20(23)18(25-21(19)24)12-15-6-3-5-13-4-1-2-7-17(13)15/h1-12,23H/b18-12- | PDB
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| n/a | n/a | >7.16E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475605
(CHEMBL199457)Show SMILES COc1ccc(cc1)C1=C(O)O\C(=C/c2cccc3ccccc23)C1=O |c:9| Show InChI InChI=1S/C22H16O4/c1-25-17-11-9-15(10-12-17)20-21(23)19(26-22(20)24)13-16-7-4-6-14-5-2-3-8-18(14)16/h2-13,24H,1H3/b19-13- | PDB
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| n/a | n/a | >7.25E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475580
(CHEMBL199546)Show SMILES OC1=C(C(=O)O\C1=C/C1CCCCC1)c1cccc(c1)C(F)(F)F |t:1| Show InChI InChI=1S/C18H17F3O3/c19-18(20,21)13-8-4-7-12(10-13)15-16(22)14(24-17(15)23)9-11-5-2-1-3-6-11/h4,7-11,22H,1-3,5-6H2/b14-9- | PDB
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| n/a | n/a | >7.38E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50176461
(2-(hydroxy-{1-[(R)-2-(4-nitro-phenylmethanesulfony...)Show SMILES C[C@@H](NS(=O)(=O)Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(C)P(O)(=O)CC(CCC(O)=O)C(O)=O Show InChI InChI=1S/C18H26N3O11PS/c1-11(20-34(31,32)10-13-3-6-15(7-4-13)21(27)28)17(24)19-12(2)33(29,30)9-14(18(25)26)5-8-16(22)23/h3-4,6-7,11-12,14,20H,5,8-10H2,1-2H3,(H,19,24)(H,22,23)(H,25,26)(H,29,30)/t11-,12?,14?/m1/s1 | PDB
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| n/a | n/a | 7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD from Escherichia coli |
Bioorg Med Chem Lett 16: 343-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.086
BindingDB Entry DOI: 10.7270/Q2FF3RZX |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50475604
(CHEMBL380784)Show SMILES OC1=C(C(=O)O\C1=C/C1CCCCC1)c1ccc2ccccc2c1 |t:1| Show InChI InChI=1S/C21H20O3/c22-20-18(12-14-6-2-1-3-7-14)24-21(23)19(20)17-11-10-15-8-4-5-9-16(15)13-17/h4-5,8-14,22H,1-3,6-7H2/b18-12- | PDB
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| PC cid
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| n/a | n/a | >7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD in Escherichia coli |
Bioorg Med Chem Lett 16: 176-80 (2006)
Article DOI: 10.1016/j.bmcl.2005.09.021
BindingDB Entry DOI: 10.7270/Q25M68G7 |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119098
(MurD/E inhibitor (compound 37))Show SMILES C[C@H](NS(=O)(=O)Cc1ccc(cc1)[N+]([O-])=O)C(=O)NC(C)P(O)(=O)CC(CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C18H26N3O11PS/c1-11(20-34(31,32)10-13-3-6-15(7-4-13)21(27)28)17(24)19-12(2)33(29,30)9-14(18(25)26)5-8-16(22)23/h3-4,6-7,11-12,14,20H,5,8-10H2,1-2H3,(H,19,24)(H,22,23)(H,25,26)(H,29,30)/t11-,12?,14?/m0/s1 | PDB
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| n/a | n/a | 7.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26455
((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...)Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1 | PDB
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| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26455
((2R)-2-({6-[(4-cyano-2-fluorophenyl)methoxy]naphth...)Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3F)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H19FN2O7S/c24-20-9-14(12-25)1-2-17(20)13-33-18-5-3-16-11-19(6-4-15(16)10-18)34(31,32)26-21(23(29)30)7-8-22(27)28/h1-6,9-11,21,26H,7-8,13H2,(H,27,28)(H,29,30)/t21-/m1/s1 | PDB
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| n/a | n/a | 8.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50176463
(2-{[1-((E)-3-benzo[1,3]dioxol-5-yl-acryloylamino)-...)Show SMILES CC(NC(=O)C=Cc1ccc2OCOc2c1)P(O)(=O)CC(CCC(O)=O)C(O)=O |w:5.4| Show InChI InChI=1S/C18H22NO9P/c1-11(29(25,26)9-13(18(23)24)4-7-17(21)22)19-16(20)6-3-12-2-5-14-15(8-12)28-10-27-14/h2-3,5-6,8,11,13H,4,7,9-10H2,1H3,(H,19,20)(H,21,22)(H,23,24)(H,25,26) | PDB
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| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description
Inhibitory activity against MurD from Escherichia coli |
Bioorg Med Chem Lett 16: 343-8 (2005)
Article DOI: 10.1016/j.bmcl.2005.09.086
BindingDB Entry DOI: 10.7270/Q2FF3RZX |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50046816
(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+ | PDB
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| n/a | n/a | 9.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26454
((2R)-2-({6-[(4-cyano-2-methoxyphenyl)methoxy]napht...)Show SMILES COc1cc(ccc1COc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O)C#N |r| Show InChI InChI=1S/C24H22N2O8S/c1-33-22-10-15(13-25)2-3-18(22)14-34-19-6-4-17-12-20(7-5-16(17)11-19)35(31,32)26-21(24(29)30)8-9-23(27)28/h2-7,10-12,21,26H,8-9,14H2,1H3,(H,27,28)(H,29,30)/t21-/m1/s1 | PDB
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| n/a | n/a | 1.00E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26453
((2R)-2-({6-[(4-cyanophenyl)methoxy]naphthalene-2-}...)Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCc3ccc(cc3)C#N)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-18-12-20(8-6-17(18)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.05E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26456
((2R)-2-({7-[(4-cyanophenyl)methoxy]naphthalene-2-}...)Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2ccc(OCc3ccc(cc3)C#N)cc2c1)C(O)=O |r| Show InChI InChI=1S/C23H20N2O7S/c24-13-15-1-3-16(4-2-15)14-32-19-7-5-17-6-8-20(12-18(17)11-19)33(30,31)25-21(23(28)29)9-10-22(26)27/h1-8,11-12,21,25H,9-10,14H2,(H,26,27)(H,28,29)/t21-/m1/s1 | PDB
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Article
PubMed
| n/a | n/a | 1.22E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26452
((2R)-2-{[6-(3-phenylpropoxy)naphthalene-2-]sulfona...)Show SMILES OC(=O)CC[C@@H](NS(=O)(=O)c1ccc2cc(OCCCc3ccccc3)ccc2c1)C(O)=O |r| Show InChI InChI=1S/C24H25NO7S/c26-23(27)13-12-22(24(28)29)25-33(30,31)21-11-9-18-15-20(10-8-19(18)16-21)32-14-4-7-17-5-2-1-3-6-17/h1-3,5-6,8-11,15-16,22,25H,4,7,12-14H2,(H,26,27)(H,28,29)/t22-/m1/s1 | PDB
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| n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50046817
(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+ | PDB
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| n/a | n/a | 1.68E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26445
((2R)-2-{[6-(pentyloxy)naphthalene-2-]sulfonamido}p...)Show SMILES CCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C20H25NO7S/c1-2-3-4-11-28-16-7-5-15-13-17(8-6-14(15)12-16)29(26,27)21-18(20(24)25)9-10-19(22)23/h5-8,12-13,18,21H,2-4,9-11H2,1H3,(H,22,23)(H,24,25)/t18-/m1/s1 | PDB
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PubMed
| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM50046814
(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+ | PDB
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| n/a | n/a | 1.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli MurD after 15 mins in presence of 0.005% Triton X-114 by Malachite green assay |
Bioorg Med Chem 22: 4124-34 (2014)
Article DOI: 10.1016/j.bmc.2014.05.058
BindingDB Entry DOI: 10.7270/Q2SB47CJ |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM119101
(MurD inhibitor (compound 43))Show SMILES OC(=O)CC[C@@H](NC(=O)c1ccc(CNc2cccc(C=C3SC(S)=NC3=O)c2)cc1)C(O)=O |r,w:20.19,c:24| Show InChI InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-6-4-13(5-7-15)12-24-16-3-1-2-14(10-16)11-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/t17-/m1/s1 | PDB
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| n/a | n/a | 1.74E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana, A?kerceva 7, 1000 Ljubljana, Slovenia
| |
Bioorg Chem 55: 2-15 (2014)
Article DOI: 10.1016/j.bioorg.2014.03.008
BindingDB Entry DOI: 10.7270/Q2ZG6QWR |
More data for this
Ligand-Target Pair | |
UDP-N-acetylmuramoylalanine--D-glutamate ligase
(Escherichia coli (strain K12)) | BDBM26446
((2R)-2-{[6-(hexyloxy)naphthalene-2-]sulfonamido}pe...)Show SMILES CCCCCCOc1ccc2cc(ccc2c1)S(=O)(=O)N[C@H](CCC(O)=O)C(O)=O |r| Show InChI InChI=1S/C21H27NO7S/c1-2-3-4-5-12-29-17-8-6-16-14-18(9-7-15(16)13-17)30(27,28)22-19(21(25)26)10-11-20(23)24/h6-9,13-14,19,22H,2-5,10-12H2,1H3,(H,23,24)(H,25,26)/t19-/m1/s1 | PDB
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| n/a | n/a | 1.76E+5 | n/a | n/a | n/a | n/a | 8.6 | 37 |
Lek Pharmaceuticals d.d.
| Assay Description
The compounds were tested for their ability to inhibit the addition of D-[14C]Glu to UMA. The radioactive substrate and product were separated by re... |
J Med Chem 51: 7486-94 (2008)
Article DOI: 10.1021/jm800762u
BindingDB Entry DOI: 10.7270/Q2B27SMN |
More data for this
Ligand-Target Pair |
3D Structure (docked) |
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