Found 67 hits with Last Name = 'laganas' and Initial = 'va' 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 |
|---|
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231666
(N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...)Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet 
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231665
(1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...)Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 2.70 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Pseudomonas aeruginosa) | BDBM231666
(N-(2-(1H-indol-3-yl)ethyl)-3-(3-thiazol-2-ylureido...)Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C20H19N5O3S2/c26-19(25-20-21-10-11-29-20)24-15-4-3-5-16(12-15)30(27,28)23-9-8-14-13-22-18-7-2-1-6-17(14)18/h1-7,10-13,22-23H,8-9H2,(H2,21,24,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Pseudomonas aeruginosa) | BDBM231665
(1-(3-(4-(Pyridin-2-yl)piperazin-1-ylsulfonyl)pheny...)Show SMILES O=C(Nc1nccs1)Nc1cccc(c1)S(=O)(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C19H20N6O3S2/c26-18(23-19-21-8-13-29-19)22-15-4-3-5-16(14-15)30(27,28)25-11-9-24(10-12-25)17-6-1-2-7-20-17/h1-8,13-14H,9-12H2,(H2,21,22,23,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| DrugBank
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231670
(5-(3-Methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazol...)Show InChI InChI=1S/C11H9F3N2O/c1-17-8-4-2-3-7(5-8)9-6-10(16-15-9)11(12,13)14/h2-6H,1H3,(H,15,16) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231674
(N-(2-(1-(methylsulfonyl)cyclopropyl)ethyl)-2-(3-(5...)Show SMILES CS(=O)(=O)C1(CCNC(=O)COc2cccc(c2)-c2cc([nH]n2)C(F)(F)F)CC1 Show InChI InChI=1S/C18H20F3N3O4S/c1-29(26,27)17(5-6-17)7-8-22-16(25)11-28-13-4-2-3-12(9-13)14-10-15(24-23-14)18(19,20)21/h2-4,9-10H,5-8,11H2,1H3,(H,22,25)(H,23,24) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231671
(Ethyl 2-(3-(5-(trifluoromethyl)-1H-pyrazol-3-yl)ph...)Show InChI InChI=1S/C14H13F3N2O3/c1-2-21-13(20)8-22-10-5-3-4-9(6-10)11-7-12(19-18-11)14(15,16)17/h3-7H,2,8H2,1H3,(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
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 | |
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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231669
(2-[3-[(4-Chloro-2-pyridyl)amino]phenoxy]-N-(1,1-di...)Show SMILES Clc1ccnc(Nc2cccc(OCC(=O)NC3CCS(=O)(=O)C3)c2)c1 Show InChI InChI=1S/C17H18ClN3O4S/c18-12-4-6-19-16(8-12)20-13-2-1-3-15(9-13)25-10-17(22)21-14-5-7-26(23,24)11-14/h1-4,6,8-9,14H,5,7,10-11H2,(H,19,20)(H,21,22) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231676
(2-((4-Chlorophenoxy)methyl)-N-(cyanomethyl)thiazol...)Show InChI InChI=1S/C13H10ClN3O2S/c14-9-1-3-10(4-2-9)19-7-12-17-11(8-20-12)13(18)16-6-5-15/h1-4,8H,6-7H2,(H,16,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
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 | |
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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231677
(2-((4-Chlorophenoxy)methyl)-N-(2-sulfamoylethyl)th...)Show InChI InChI=1S/C13H14ClN3O4S2/c14-9-1-3-10(4-2-9)21-7-12-17-11(8-22-12)13(18)16-5-6-23(15,19)20/h1-4,8H,5-7H2,(H,16,18)(H2,15,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
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) | 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) | 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) | 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) | 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) | 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 | |
DNA ligase
(Staphylococcus aureus) | BDBM50131482
(CHEMBL3632787)Show SMILES CC(C)(C)c1nc(-c2ccc(s2)C(O)=O)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H16N6O2S/c1-17(2,3)16-21-12(8-4-5-9(26-8)15(24)25)10-11(19)7(6-18)13(20)22-14(10)23-16/h4-5H,1-3H3,(H,24,25)(H4,19,20,21,22,23) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 550 | 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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231668
(2-(3-(4-Cyanopyridin-2-ylamino)phenoxy)-N-methylac...)Show InChI InChI=1S/C15H14N4O2/c1-17-15(20)10-21-13-4-2-3-12(8-13)19-14-7-11(9-16)5-6-18-14/h2-8H,10H2,1H3,(H,17,20)(H,18,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131492
(CHEMBL3634886)Show InChI InChI=1S/C11H10N6/c12-3-6-8(13)7-4-15-10(5-1-2-5)17-11(7)16-9(6)14/h4-5H,1-2H2,(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 | 670 | 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) | BDBM50131493
(CHEMBL3634887)Show InChI InChI=1S/C12H12N6/c13-4-7-9(14)8-5-16-11(6-2-1-3-6)18-12(8)17-10(7)15/h5-6H,1-3H2,(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 | 690 | 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) | BDBM50131443
(CHEMBL3632779)Show SMILES CC(C)(C)c1nc(-c2ccsc2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H16N6S/c1-16(2,3)15-20-12(8-4-5-23-7-8)10-11(18)9(6-17)13(19)21-14(10)22-15/h4-5,7H,1-3H3,(H4,18,19,20,21,22) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 740 | 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) | BDBM50131495
(CHEMBL3632764)Show InChI InChI=1S/C14H16N6/c15-6-9-11(16)10-7-18-13(8-4-2-1-3-5-8)20-14(10)19-12(9)17/h7-8H,1-5H2,(H4,16,17,18,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 810 | 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) | BDBM50131417
(CHEMBL3632767)Show InChI InChI=1S/C14H10N6/c15-6-9-11(16)10-7-18-13(8-4-2-1-3-5-8)20-14(10)19-12(9)17/h1-5,7H,(H4,16,17,18,19,20) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 970 | 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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231672
(Ethyl 2-(3-(3-(difluoromethyl)-1H-pyrazol-5-yl)phe...)Show InChI InChI=1S/C14H14F2N2O3/c1-2-20-13(19)8-21-10-5-3-4-9(6-10)11-7-12(14(15)16)18-17-11/h3-7,14H,2,8H2,1H3,(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131448
(CHEMBL3632781)Show SMILES CC(C)(C)c1nc(-c2ccccn2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C17H17N7/c1-17(2,3)16-22-13(10-6-4-5-7-21-10)11-12(19)9(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 | 1.01E+3 | 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) | BDBM50131416
(CHEMBL3632766)Show InChI InChI=1S/C12H14N6/c1-6(2)3-9-16-5-8-10(14)7(4-13)11(15)18-12(8)17-9/h5-6H,3H2,1-2H3,(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 | 1.10E+3 | 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 | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231675
(N-(1,1-dioxothiolan-3-yl)-2-[(4-methylphenoxy)meth...)Show SMILES Cc1ccc(OCc2nc(cs2)C(=O)NC2CCS(=O)(=O)C2)cc1 Show InChI InChI=1S/C16H18N2O4S2/c1-11-2-4-13(5-3-11)22-8-15-18-14(9-23-15)16(19)17-12-6-7-24(20,21)10-12/h2-5,9,12H,6-8,10H2,1H3,(H,17,19) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
Phenylalanine--tRNA ligase alpha/beta subunit
(Escherichia coli (Enterobacteria)) | BDBM231667
(2-(3-(4-Chloropyridin-2-ylamino)phenoxy)-N-methyla...)Show InChI InChI=1S/C14H14ClN3O2/c1-16-14(19)9-20-12-4-2-3-11(8-12)18-13-7-10(15)5-6-17-13/h2-8H,9H2,1H3,(H,16,19)(H,17,18) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
AffyNet
| PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | 8.0 | n/a |
AstraZeneca R&D Boston
| Assay Description
Compounds were solubilized in DMSO. Serial 2-fold dilutions covering two concentration ranges, 10 mM to 19.5 μM and 100 μM to 195 nM, were ... |
J Biol Chem 289: 21651-62 (2014)
Article DOI: 10.1074/jbc.M114.574061
BindingDB Entry DOI: 10.7270/Q2BG2MVZ |
More data for this
Ligand-Target Pair | |
DNA ligase
(Staphylococcus aureus) | BDBM50131457
(CHEMBL3632784)Show SMILES CC(C)(C)c1nc(-c2cnccn2)c2c(N)c(C#N)c(N)nc2n1 Show InChI InChI=1S/C16H16N8/c1-16(2,3)15-22-12(9-7-20-4-5-21-9)10-11(18)8(6-17)13(19)23-14(10)24-15/h4-5,7H,1-3H3,(H4,18,19,22,23,24) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.44E+3 | 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) | BDBM50131490
(CHEMBL3634884)Show InChI InChI=1S/C9H8N6/c1-4-13-3-6-7(11)5(2-10)8(12)15-9(6)14-4/h3H,1H3,(H4,11,12,13,14,15) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.50E+3 | 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 | |
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