Found 66 hits with Last Name = 'johnstone' and Initial = 'm' 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) | BDBM50491052
(CHEMBL2377693)Show SMILES C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccc(CN2CCOCC2)cc1)C(=O)NO |r| Show InChI InChI=1S/C24H27N3O5/c1-17(28)22(24(30)26-31)25-23(29)21-10-8-19(9-11-21)3-2-18-4-6-20(7-5-18)16-27-12-14-32-15-13-27/h4-11,17,22,28,31H,12-16H2,1H3,(H,25,29)(H,26,30)/t17-,22-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491048
(CHEMBL2377694)Show SMILES C[C@H](O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O4/c1-13(22)17(19(24)21-25)20-18(23)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,17,22,25H,1H3,(H,20,23)(H,21,24)/t13-,17-/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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491047
(CHEMBL2377569)Show SMILES OCCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H23N3O5/c26-14-4-13-23-20(27)15-19(22(29)25-30)24-21(28)18-11-9-17(10-12-18)8-7-16-5-2-1-3-6-16/h1-3,5-6,9-12,19,26,30H,4,13-15H2,(H,23,27)(H,24,28)(H,25,29)/t19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491056
(CHEMBL2377567)Show SMILES ONC(=O)[C@H](Cc1cnc[nH]1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C21H18N4O3/c26-20(24-19(21(27)25-28)12-18-13-22-14-23-18)17-10-8-16(9-11-17)7-6-15-4-2-1-3-5-15/h1-5,8-11,13-14,19,28H,12H2,(H,22,23)(H,24,26)(H,25,27)/t19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491046
(CHEMBL2377699)Show SMILES OC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O4/c21-12-16(18(23)20-24)19-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,21,24H,12H2,(H,19,22)(H,20,23)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491045
(CHEMBL2377702)Show SMILES CSC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O3S/c1-25-13-17(19(23)21-24)20-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12,17,24H,13H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491051
(CHEMBL2377703)Show SMILES CS(=O)(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H18N2O5S/c1-27(25,26)13-17(19(23)21-24)20-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-12,17,24H,13H2,1H3,(H,20,22)(H,21,23)/t17-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491044
(CHEMBL2377704)Show SMILES ONC(=O)[C@@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H18N2O3/c26-22(24-21(23(27)25-28)19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16,21,28H,(H,24,26)(H,25,27)/t21-/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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491050
(CHEMBL2377698)Show InChI InChI=1S/C20H20N2O3/c1-14(2)18(20(24)22-25)21-19(23)17-12-10-16(11-13-17)9-8-15-6-4-3-5-7-15/h3-7,10-14,18,25H,1-2H3,(H,21,23)(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491055
(CHEMBL2377570)Show SMILES COCCNC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C22H23N3O5/c1-30-14-13-23-20(26)15-19(22(28)25-29)24-21(27)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16/h2-6,9-12,19,29H,13-15H2,1H3,(H,23,26)(H,24,27)(H,25,28)/t19-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491043
(CHEMBL2377571)Show SMILES ONC(=O)[C@H](CC(=O)NCC#C)NC(=O)c1ccc(cc1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C22H19N3O4/c1-2-14-23-20(26)15-19(22(28)25-29)24-21(27)18-12-10-17(11-13-18)9-8-16-6-4-3-5-7-16/h1,3-7,10-13,19,29H,14-15H2,(H,23,26)(H,24,27)(H,25,28)/t19-/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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491058
(CHEMBL2377690)Show SMILES ONC(=O)C1(CCS(=O)(=O)CC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O5S/c24-19(22-21(20(25)23-26)12-14-29(27,28)15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25) | 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 |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491053
(CHEMBL2377568)Show SMILES NC(=O)C[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C19H17N3O4/c20-17(23)12-16(19(25)22-26)21-18(24)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,26H,12H2,(H2,20,23)(H,21,24)(H,22,25)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491042
(CHEMBL2377688)Show SMILES ONC(=O)C1(CCOCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O4/c24-19(22-21(20(25)23-26)12-14-27-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491059
(CHEMBL2377566)Show SMILES ONC(=O)[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C23H18N2O3/c26-22(24-21(23(27)25-28)19-9-5-2-6-10-19)20-15-13-18(14-16-20)12-11-17-7-3-1-4-8-17/h1-10,13-16,21,28H,(H,24,26)(H,25,27)/t21-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM92261
(CS251)Show SMILES NC[C@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO Show InChI InChI=1S/C18H17N3O3/c19-12-16(18(23)21-24)20-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,24H,12,19H2,(H,20,22)(H,21,23)/t16-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491041
(CHEMBL2377696)Show InChI InChI=1S/C18H16N2O3/c1-13(17(21)20-23)19-18(22)16-11-9-15(10-12-16)8-7-14-5-3-2-4-6-14/h2-6,9-13,23H,1H3,(H,19,22)(H,20,21) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491040
(CHEMBL2377689)Show SMILES ONC(=O)C1(CCSCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H20N2O3S/c24-19(22-21(20(25)23-26)12-14-27-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,26H,12-15H2,(H,22,24)(H,23,25) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131483
(CHEMBL3632788)Show SMILES CC(C)(C)c1nc(-c2ncc[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H16N8/c1-15(2,3)14-21-10(13-19-4-5-20-13)8-9(17)7(6-16)11(18)22-12(8)23-14/h4-5H,1-3H3,(H,19,20)(H4,17,18,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131487
(CHEMBL3634881)Show InChI InChI=1S/C13H15N5/c1-13(2,3)9-5-4-7-10(15)8(6-14)11(16)18-12(7)17-9/h4-5H,1-3H3,(H4,15,16,17,18) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | <40 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131401
(CHEMBL3632791)Show SMILES CC(C)(C)c1nc(-c2cnn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C14H15N9/c1-14(2,3)13-19-10(7-5-18-23-22-7)8-9(16)6(4-15)11(17)20-12(8)21-13/h5H,1-3H3,(H,18,22,23)(H4,16,17,19,20,21) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 42 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131438
(CHEMBL3632777)Show SMILES CC(C)(C)c1nc(-c2nccs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H15N7S/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131421
(CHEMBL3632770)Show InChI InChI=1S/C13H16N6S/c1-13(2,3)12-18-10-7(11(19-12)20-4)8(15)6(5-14)9(16)17-10/h1-4H3,(H4,15,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131484
(CHEMBL3632789)Show SMILES Cc1c[nH]c(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C16H18N8/c1-7-6-20-14(21-7)11-9-10(18)8(5-17)12(19)23-13(9)24-15(22-11)16(2,3)4/h6H,1-4H3,(H,20,21)(H4,18,19,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131486
(CHEMBL3634880)Show SMILES CC(C)(C)c1nc(-c2ccc[nH]2)c2cc(C(N)=O)c(N)nc2n1 Show InChI InChI=1S/C16H18N6O/c1-16(2,3)15-20-11(10-5-4-6-19-10)8-7-9(13(18)23)12(17)21-14(8)22-15/h4-7,19H,1-3H3,(H2,18,23)(H2,17,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid PDB UniChem
Similars
| Article PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131412
(CHEMBL3632794)Show SMILES CC(C)(C)c1nc(-c2nc(CO)cs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H17N7OS/c1-16(2,3)15-21-11(14-20-7(5-24)6-25-14)9-10(18)8(4-17)12(19)22-13(9)23-15/h6,24H,5H2,1-3H3,(H4,18,19,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491049
(CHEMBL2377573)Show SMILES ONC(=O)C1(CCCCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C22H22N2O3/c25-20(23-22(21(26)24-27)15-5-2-6-16-22)19-13-11-18(12-14-19)10-9-17-7-3-1-4-8-17/h1,3-4,7-8,11-14,27H,2,5-6,15-16H2,(H,23,25)(H,24,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131485
(CHEMBL3632790)Show SMILES CC(C)(C)c1nc(-c2ccn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H16N8/c1-15(2,3)14-20-11(8-4-5-19-23-8)9-10(17)7(6-16)12(18)21-13(9)22-14/h4-5H,1-3H3,(H,19,23)(H4,17,18,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491057
(CHEMBL2377691)Show SMILES ONC(=O)C1(CCNCC1)NC(=O)c1ccc(cc1)C#Cc1ccccc1 Show InChI InChI=1S/C21H21N3O3/c25-19(23-21(20(26)24-27)12-14-22-15-13-21)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,22,27H,12-15H2,(H,23,25)(H,24,26) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131407
(CHEMBL3632793)Show SMILES CC(C)(C)c1nc(-c2ncco2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C15H15N7O/c1-15(2,3)14-20-10(13-19-4-5-23-13)8-9(17)7(6-16)11(18)21-12(8)22-14/h4-5H,1-3H3,(H4,17,18,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131424
(CHEMBL3632772)Show InChI InChI=1S/C16H22N6/c1-5-6-7-10-11-12(18)9(8-17)13(19)21-14(11)22-15(20-10)16(2,3)4/h5-7H2,1-4H3,(H4,18,19,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131430
(CHEMBL3632775)Show InChI InChI=1S/C17H22N6/c1-17(2,3)16-21-13(9-6-4-5-7-9)11-12(19)10(8-18)14(20)22-15(11)23-16/h9H,4-7H2,1-3H3,(H4,19,20,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491060
(CHEMBL2377695)Show InChI InChI=1S/C17H14N2O3/c20-16(19-22)12-18-17(21)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,22H,12H2,(H,18,21)(H,19,20) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 148 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131439
(CHEMBL3632778)Show SMILES CC(C)(C)c1nc(-c2cccs2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H16N6S/c1-16(2,3)15-20-12(9-5-4-6-23-9)10-11(18)8(7-17)13(19)21-14(10)22-15/h4-6H,1-3H3,(H4,18,19,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131413
(CHEMBL3632795)Show SMILES COCc1csc(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C17H19N7OS/c1-17(2,3)16-22-12(15-21-8(6-25-4)7-26-15)10-11(19)9(5-18)13(20)23-14(10)24-16/h7H,6H2,1-4H3,(H4,19,20,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491039
(CHEMBL2377572)Show InChI InChI=1S/C20H18N2O3/c23-18(21-20(13-4-14-20)19(24)22-25)17-11-9-16(10-12-17)8-7-15-5-2-1-3-6-15/h1-3,5-6,9-12,25H,4,13-14H2,(H,21,23)(H,22,24) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 178 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491038
(CHEMBL2377700)Show SMILES OC[C@@H](NC(=O)c1ccc(cc1)C#Cc1ccccc1)C(=O)NO |r| Show InChI InChI=1S/C18H16N2O4/c21-12-16(18(23)20-24)19-17(22)15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-5,8-11,16,21,24H,12H2,(H,19,22)(H,20,23)/t16-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| KEGG PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 206 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
UDP-3-O-acyl-N-acetylglucosamine deacetylase
(Escherichia coli) | BDBM50491037
(CHEMBL2377697)Show InChI InChI=1S/C19H18N2O3/c1-19(2,18(23)21-24)20-17(22)16-12-10-15(11-13-16)9-8-14-6-4-3-5-7-14/h3-7,10-13,24H,1-2H3,(H,20,22)(H,21,23) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 219 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Escherichia coli str. K-12 substr. MG1655 LpxC using UDP-3-O-(R-3-hydroxydecanoyl)-N-acetylglucosamine as substrate preincubated for 20... |
Bioorg Med Chem Lett 23: 2362-7 (2013)
Article DOI: 10.1016/j.bmcl.2013.02.055 BindingDB Entry DOI: 10.7270/Q2F76GGD |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131419
(CHEMBL3632769)Show InChI InChI=1S/C12H14N6/c1-12(2,3)11-16-5-7-8(14)6(4-13)9(15)17-10(7)18-11/h5H,1-3H3,(H4,14,15,16,17,18) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131422
(CHEMBL3632771)Show InChI InChI=1S/C13H16N6/c1-6-8-9(15)7(5-14)10(16)18-11(8)19-12(17-6)13(2,3)4/h1-4H3,(H4,15,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131425
(CHEMBL3632773)Show InChI InChI=1S/C17H21N7/c1-17(2,3)16-22-11(7-5-4-6-8-18)12-13(20)10(9-19)14(21)23-15(12)24-16/h4-7H2,1-3H3,(H4,20,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131405
(CHEMBL3632792)Show SMILES CC(C)(C)c1nc(-c2ncn[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C14H15N9/c1-14(2,3)13-20-9(12-18-5-19-23-12)7-8(16)6(4-15)10(17)21-11(7)22-13/h5H,1-3H3,(H,18,19,23)(H4,16,17,20,21,22) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131426
(CHEMBL3632774)Show SMILES CC(C)(C)c1nc(CCCCCC#N)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C18H23N7/c1-18(2,3)17-23-12(8-6-4-5-7-9-19)13-14(21)11(10-20)15(22)24-16(13)25-17/h4-8H2,1-3H3,(H4,21,22,23,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131455
(CHEMBL3632783)Show SMILES CC(C)(C)c1nc(-c2ccncc2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H17N7/c1-17(2,3)16-22-13(9-4-6-21-7-5-9)11-12(19)10(8-18)14(20)23-15(11)24-16/h4-7H,1-3H3,(H4,19,20,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131491
(CHEMBL3634885)Show InChI InChI=1S/C11H12N6/c1-5(2)10-15-4-7-8(13)6(3-12)9(14)16-11(7)17-10/h4-5H,1-2H3,(H4,13,14,15,16,17) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131454
(CHEMBL3632782)Show SMILES CC(C)(C)c1nc(-c2cccnc2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H17N7/c1-17(2,3)16-22-13(9-5-4-6-21-8-9)11-12(19)10(7-18)14(20)23-15(11)24-16/h4-6,8H,1-3H3,(H4,19,20,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 430 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131447
(CHEMBL3632780)Show SMILES CC(C)(C)c1nc(-c2ccccc2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C18H18N6/c1-18(2,3)17-22-14(10-7-5-4-6-8-10)12-13(20)11(9-19)15(21)23-16(12)24-17/h4-8H,1-3H3,(H4,20,21,22,23,24) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131494
(CHEMBL3634888)Show InChI InChI=1S/C13H14N6/c14-5-8-10(15)9-6-17-12(7-3-1-2-4-7)19-13(9)18-11(8)16/h6-7H,1-4H2,(H4,15,16,17,18,19) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 470 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131488
(CHEMBL3634882)Show SMILES CC(C)(C)c1nc(-c2ccc[nH]2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H17N7/c1-16(2,3)15-21-12(9-5-4-6-20-9)10-11(18)8(7-17)13(19)22-14(10)23-15/h4-6,20H,1-3H3,(H4,18,19,21,22,23) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131477
(CHEMBL3632785)Show SMILES CCOC(=O)c1csc(n1)-c1nc(nc2nc(N)c(C#N)c(N)c12)C(C)(C)C Show InChI InChI=1S/C18H19N7O2S/c1-5-27-16(26)9-7-28-15(22-9)12-10-11(20)8(6-19)13(21)24-14(10)25-17(23-12)18(2,3)4/h7H,5H2,1-4H3,(H4,20,21,23,24,25) | PDB MMDB
UniProtKB/SwissProt
B.MOAD GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description Inhibition of Staphylococcus aureus NAD(+)-dependent DNA ligase |
Bioorg Med Chem Lett 25: 5172-7 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.075 BindingDB Entry DOI: 10.7270/Q2KD20RN |
More data for this Ligand-Target Pair | |