Found 150 hits with Last Name = 'poutsiaka' and Initial = 'km' 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 |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501754
(CHEMBL4071396)Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501764
(CHEMBL4061199)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501755
(CHEMBL4077947)Show SMILES C[C@@H](O)[C@H](NC1CCOc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-23-10-13-34-24-16-20(8-9-22(23)24)5-2-19-3-6-21(7-4-19)17-29-11-14-33-15-12-29/h3-4,6-9,16,18,23,25,27,30,32H,10-15,17H2,1H3,(H,28,31)/t18-,23?,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501782
(CHEMBL4087371)Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O3/c1-15(25)21(22(26)24-27)23-20-9-5-8-18-14-17(12-13-19(18)20)11-10-16-6-3-2-4-7-16/h2-4,6-7,12-15,20-21,23,25,27H,5,8-9H2,1H3,(H,24,26)/t15-,20?,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501764
(CHEMBL4061199)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501779
(CHEMBL4102207)Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-24-17-34-16-22-14-20(8-9-23(22)24)5-2-19-3-6-21(7-4-19)15-29-10-12-33-13-11-29/h3-4,6-9,14,18,24-25,27,30,32H,10-13,15-17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501780
(CHEMBL4083988)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501762
(CHEMBL4081478)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2C)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O3/c1-17(31)25(26(32)29-33)28-24-12-10-22-15-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)16-30-14-13-27-18(30)2/h4-5,7-9,11,13-15,17,24-25,28,31,33H,10,12,16H2,1-2H3,(H,29,32)/t17-,24+,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501753
(CHEMBL4098438)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501780
(CHEMBL4083988)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501778
(CHEMBL4098674)Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N2O4/c1-14(24)20(21(25)23-26)22-19-13-27-12-17-11-16(9-10-18(17)19)8-7-15-5-3-2-4-6-15/h2-6,9-11,14,19-20,22,24,26H,12-13H2,1H3,(H,23,25)/t14-,19?,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501770
(CHEMBL4092719)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 847 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501753
(CHEMBL4098438)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501754
(CHEMBL4071396)Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H33N3O4/c1-19(31)26(27(32)29-33)28-25-4-2-3-23-17-21(11-12-24(23)25)8-5-20-6-9-22(10-7-20)18-30-13-15-34-16-14-30/h6-7,9-12,17,19,25-26,28,31,33H,2-4,13-16,18H2,1H3,(H,29,32)/t19-,25?,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501768
(CHEMBL4102818)Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H25N3O3/c1-15(26)21(22(27)24-28)23-19-12-13-25(2)20-14-17(10-11-18(19)20)9-8-16-6-4-3-5-7-16/h3-7,10-11,14-15,19,21,23,26,28H,12-13H2,1-2H3,(H,24,27)/t15-,19?,21+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501756
(CHEMBL4066982)Show SMILES C[C@@H](O)[C@H](NC1CCN(C)c2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-19(32)26(27(33)29-34)28-24-11-12-30(2)25-17-21(9-10-23(24)25)6-3-20-4-7-22(8-5-20)18-31-13-15-35-16-14-31/h4-5,7-10,17,19,24,26,28,32,34H,11-16,18H2,1-2H3,(H,29,33)/t19-,24?,26+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501752
(CHEMBL4095059)Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501761
(CHEMBL4068010)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCC(CC2)OC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C28H35N3O4/c1-19(32)27(28(33)30-34)29-26-12-10-23-17-21(9-11-25(23)26)6-3-20-4-7-22(8-5-20)18-31-15-13-24(35-2)14-16-31/h4-5,7-9,11,17,19,24,26-27,29,32,34H,10,12-16,18H2,1-2H3,(H,30,33)/t19-,26+,27+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501767
(CHEMBL4091763)Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H31N5O4/c1-27(2,28)25(26(34)31-35)30-23-17-36-16-21-13-19(9-10-22(21)23)6-3-18-4-7-20(8-5-18)14-32-12-11-29-24(32)15-33/h4-5,7-13,23,25,30,33,35H,14-17,28H2,1-2H3,(H,31,34)/t23?,25-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501764
(CHEMBL4061199)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)O |r| Show InChI InChI=1S/C27H33N3O4/c1-27(2,32)25(26(31)29-33)28-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-30-13-15-34-16-14-30/h4-5,7-9,11,17,24-25,28,32-33H,10,12-16,18H2,1-2H3,(H,29,31)/t24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501753
(CHEMBL4098438)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501783
(CHEMBL4064896)Show SMILES [H][C@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24-,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501752
(CHEMBL4095059)Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501762
(CHEMBL4081478)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2C)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O3/c1-17(31)25(26(32)29-33)28-24-12-10-22-15-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)16-30-14-13-27-18(30)2/h4-5,7-9,11,13-15,17,24-25,28,31,33H,10,12,16H2,1-2H3,(H,29,32)/t17-,24+,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173889
(CHEMBL3809400)Show SMILES C=CCn1c2[nH]nc(-c3cnc(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C17H13N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h2-7,9-10H,1,8H2,(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501770
(CHEMBL4092719)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501770
(CHEMBL4092719)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H31N5O3/c1-27(2,28)25(26(34)31-35)30-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-29-24(32)17-33/h4-5,7-9,11,13-15,23,25,30,33,35H,10,12,16-17,28H2,1-2H3,(H,31,34)/t23-,25+/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501763
(CHEMBL4099505)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CCO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C27H30N4O4/c1-18(33)26(27(34)30-35)29-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-31-14-13-28-25(31)12-15-32/h3-4,6-8,10,13-14,16,18,24,26,29,32-33,35H,9,11-12,15,17H2,1H3,(H,30,34)/t18-,24+,26+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501767
(CHEMBL4091763)Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H31N5O4/c1-27(2,28)25(26(34)31-35)30-23-17-36-16-21-13-19(9-10-22(21)23)6-3-18-4-7-20(8-5-18)14-32-12-11-29-24(32)15-33/h4-5,7-13,23,25,30,33,35H,14-17,28H2,1-2H3,(H,31,34)/t23?,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501782
(CHEMBL4087371)Show SMILES C[C@@H](O)[C@H](NC1CCCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H24N2O3/c1-15(25)21(22(26)24-27)23-20-9-5-8-18-14-17(12-13-19(18)20)11-10-16-6-3-2-4-7-16/h2-4,6-7,12-15,20-21,23,25,27H,5,8-9H2,1H3,(H,24,26)/t15-,20?,21+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501761
(CHEMBL4068010)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCC(CC2)OC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C28H35N3O4/c1-19(32)27(28(33)30-34)29-26-12-10-23-17-21(9-11-25(23)26)6-3-20-4-7-22(8-5-20)18-31-15-13-24(35-2)14-16-31/h4-5,7-9,11,17,19,24,26-27,29,32,34H,10,12-16,18H2,1-2H3,(H,30,33)/t19-,26+,27+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501763
(CHEMBL4099505)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CCO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C27H30N4O4/c1-18(33)26(27(34)30-35)29-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-31-14-13-28-25(31)12-15-32/h3-4,6-8,10,13-14,16,18,24,26,29,32-33,35H,9,11-12,15,17H2,1H3,(H,30,34)/t18-,24+,26+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501766
(CHEMBL4070896)Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)25(26(32)30-33)29-24-18-35-17-22-15-20(9-10-23(22)24)6-3-19-4-7-21(8-5-19)16-31-11-13-34-14-12-31/h4-5,7-10,15,24-25,29,33H,11-14,16-18,28H2,1-2H3,(H,30,32)/t24?,25-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501780
(CHEMBL4083988)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@H](C(=O)NO)C(C)(C)N |r| Show InChI InChI=1S/C27H34N4O3/c1-27(2,28)25(26(32)30-33)29-24-12-10-22-17-20(9-11-23(22)24)6-3-19-4-7-21(8-5-19)18-31-13-15-34-16-14-31/h4-5,7-9,11,17,24-25,29,33H,10,12-16,18,28H2,1-2H3,(H,30,32)/t24-,25+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501760
(CHEMBL4078871)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(COCCNC)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C25H31N3O4/c1-17(29)24(25(30)28-31)27-23-12-10-21-15-19(9-11-22(21)23)6-3-18-4-7-20(8-5-18)16-32-14-13-26-2/h4-5,7-9,11,15,17,23-24,26-27,29,31H,10,12-14,16H2,1-2H3,(H,28,30)/t17-,23+,24+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501779
(CHEMBL4102207)Show SMILES C[C@@H](O)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-24-17-34-16-22-14-20(8-9-23(22)24)5-2-19-3-6-21(7-4-19)15-29-10-12-33-13-11-29/h3-4,6-9,14,18,24-25,27,30,32H,10-13,15-17H2,1H3,(H,28,31)/t18-,24?,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501755
(CHEMBL4077947)Show SMILES C[C@@H](O)[C@H](NC1CCOc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O5/c1-18(30)25(26(31)28-32)27-23-10-13-34-24-16-20(8-9-22(23)24)5-2-19-3-6-21(7-4-19)17-29-11-14-33-15-12-29/h3-4,6-9,16,18,23,25,27,30,32H,10-15,17H2,1H3,(H,28,31)/t18-,23?,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173879
(CHEMBL3810359)Show InChI InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501786
(CHEMBL4089353)Show SMILES [H][C@@]1(CCc2cc(ccc12)C#Cc1ccc(Cn2ccnc2CO)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H28N4O4/c1-17(32)25(26(33)29-34)28-23-11-9-21-14-19(8-10-22(21)23)5-2-18-3-6-20(7-4-18)15-30-13-12-27-24(30)16-31/h3-4,6-8,10,12-14,17,23,25,28,31-32,34H,9,11,15-16H2,1H3,(H,29,33)/t17-,23+,25+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173875
(CHEMBL3808756)Show SMILES CCCn1c2[nH]nc(-c3nc(C(=O)OC)c(s3)-c3cccnc3)c2ccc1=O Show InChI InChI=1S/C19H17N5O3S/c1-3-9-24-13(25)7-6-12-14(22-23-17(12)24)18-21-15(19(26)27-2)16(28-18)11-5-4-8-20-10-11/h4-8,10H,3,9H2,1-2H3,(H,22,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50501775
(CHEMBL4077504)Show SMILES C[C@@H](O)[C@H](NC1CCc2cc(ccc12)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C21H22N2O3/c1-14(24)20(21(25)23-26)22-19-12-10-17-13-16(9-11-18(17)19)8-7-15-5-3-2-4-6-15/h2-6,9,11,13-14,19-20,22,24,26H,10,12H2,1H3,(H,23,25)/t14-,19?,20+/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Escherichia coli isolate 35 ATCC 25922 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501783
(CHEMBL4064896)Show SMILES [H][C@]1(CCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)N[C@@H]([C@@H](C)O)C(=O)NO |r| Show InChI InChI=1S/C26H31N3O4/c1-18(30)25(26(31)28-32)27-24-11-9-22-16-20(8-10-23(22)24)5-2-19-3-6-21(7-4-19)17-29-12-14-33-15-13-29/h3-4,6-8,10,16,18,24-25,27,30,32H,9,11-15,17H2,1H3,(H,28,31)/t18-,24-,25+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Pseudomonas aeruginosa) | BDBM50501766
(CHEMBL4070896)Show SMILES CC(C)(N)[C@H](NC1COCc2cc(ccc12)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C27H34N4O4/c1-27(2,28)25(26(32)30-33)29-24-18-35-17-22-15-20(9-10-23(22)24)6-3-19-4-7-21(8-5-19)16-31-11-13-34-14-12-31/h4-5,7-10,15,24-25,29,33H,11-14,16-18,28H2,1-2H3,(H,30,32)/t24?,25-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc.
Curated by ChEMBL
| Assay Description Inhibition of LpxC in Pseudomonas aeruginosa isolate 44 ATCC 27853 |
Bioorg Med Chem Lett 27: 1670-1680 (2017)
Article DOI: 10.1016/j.bmcl.2017.03.006 BindingDB Entry DOI: 10.7270/Q2HH6P2W |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173823
(CHEMBL3809278)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)N(C)C)c2ccc1=O Show InChI InChI=1S/C20H20N6O2S/c1-4-9-26-16(27)8-6-13-17(23-24-18(13)26)15-11-22-19(29-15)12-5-7-14(21-10-12)20(28)25(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,23,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50499015
(CHEMBL3736321)Show SMILES CCNC(=O)Nc1cn(-c2ncc(Br)cn2)c2cc(cnc12)-c1ccn(CCO)c(=O)c1 Show InChI InChI=1S/C21H20BrN7O3/c1-2-23-21(32)27-16-12-29(20-25-10-15(22)11-26-20)17-7-14(9-24-19(16)17)13-3-4-28(5-6-30)18(31)8-13/h3-4,7-12,30H,2,5-6H2,1H3,(H2,23,27,32) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals Inc
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA GyraseB ATPase activity using linear pBR322 DNA as substrate incubated for 30 mins by fluorescence polarizati... |
J Med Chem 58: 8503-12 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00961 BindingDB Entry DOI: 10.7270/Q24B34BK |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173857
(CHEMBL3808789)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)C(=O)NCCN(CC)CC)c2ccc1=O Show InChI InChI=1S/C24H29N7O2S/c1-4-12-31-20(32)10-8-17-21(28-29-22(17)31)19-15-27-24(34-19)16-7-9-18(26-14-16)23(33)25-11-13-30(5-2)6-3/h7-10,14-15H,4-6,11-13H2,1-3H3,(H,25,33)(H,28,29) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173720
(CHEMBL3809947)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CN4CCOCC4)nc3)c2ccc1=O Show InChI InChI=1S/C22H24N6O2S/c1-2-7-28-19(29)6-5-17-20(25-26-21(17)28)18-13-24-22(31-18)15-3-4-16(23-12-15)14-27-8-10-30-11-9-27/h3-6,12-13H,2,7-11,14H2,1H3,(H,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173718
(CHEMBL3809821)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(CO)nc3)c2ccc1=O Show InChI InChI=1S/C18H17N5O2S/c1-2-7-23-15(25)6-5-13-16(21-22-17(13)23)14-9-20-18(26-14)11-3-4-12(10-24)19-8-11/h3-6,8-9,24H,2,7,10H2,1H3,(H,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173644
(CHEMBL3810048)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(C)nc3)c2ccc1=O Show InChI InChI=1S/C18H17N5OS/c1-3-8-23-15(24)7-6-13-16(21-22-17(13)23)14-10-20-18(25-14)12-5-4-11(2)19-9-12/h4-7,9-10H,3,8H2,1-2H3,(H,21,22) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |
DNA gyrase subunit B
(Staphylococcus aureus) | BDBM50173641
(CHEMBL3810223)Show SMILES CCCn1c2[nH]nc(-c3cnc(s3)-c3ccc(nc3)N3CCN(C)CC3)c2ccc1=O Show InChI InChI=1S/C22H25N7OS/c1-3-8-29-19(30)7-5-16-20(25-26-21(16)29)17-14-24-22(31-17)15-4-6-18(23-13-15)28-11-9-27(2)10-12-28/h4-7,13-14H,3,8-12H2,1-2H3,(H,25,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Cubist Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus DNA gyraseB ATPase activity using linear pBR322 DNA substrate incubated for 30 mins by fluorescence polarization ... |
ACS Med Chem Lett 7: 374-8 (2016)
Article DOI: 10.1021/acsmedchemlett.5b00368 BindingDB Entry DOI: 10.7270/Q20R9RB6 |
More data for this Ligand-Target Pair | |