Found 12 hits for monomerid = 50393503 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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| Article
PubMed
| n/a | n/a | 1.24E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
J Med Chem 54: 3418-25 (2011)
Article DOI: 10.1021/jm2002124
BindingDB Entry DOI: 10.7270/Q2MW2J84 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 1.28E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type Staphylococcus aureus ATCC 29213 topoisomerase-4 subunit 2GrlA/2GrlB assessed as pBR322 relaxation after 1 hr |
J Med Chem 56: 7396-415 (2013)
Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
PC sid
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| n/a | n/a | 125 | n/a | n/a | n/a | n/a | n/a | n/a |
Actelion Pharmaceuticals Ltd
Curated by ChEMBL
| Assay Description
Inhibition of wild type Staphylococcus aureus DNA gyrase subunit 2GyrA/2GyrB assessed as pBR322 supercoiling after 1 hr |
J Med Chem 56: 7396-415 (2013)
Article DOI: 10.1021/jm400963y
BindingDB Entry DOI: 10.7270/Q2HT2QRV |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Worldwide Research and Development, Groton, CT 06340, USA. Electronic address: mitton-fry.1@osu.edu.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG |
Bioorg Med Chem Lett 27: 3353-3358 (2017)
Article DOI: 10.1016/j.bmcl.2017.06.009
BindingDB Entry DOI: 10.7270/Q21R6SZV |
More data for this
Ligand-Target Pair | |
1,3-beta-glucan synthase component GSC2
(Saccharomyces cerevisiae) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | KEGG
UniProtKB/SwissProt
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PC cid
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| Article
PubMed
| n/a | n/a | 2.36E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of human ERG channel in HEK293 cells by voltage-gated patch clamp technique |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A/B
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
KEGG
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PC cid
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| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Chemistry
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus RN4220 DNA topoisomerase 4 expressed in Escherichia coli BL21(DE3) cells using supercoiled pBR322 DNA as substrat... |
J Med Chem 63: 5664-5674 (2020)
|
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
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PC cid
PC sid
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PubMed
| n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Angelini S.p.A.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 60 mins b... |
J Med Chem 62: 7445-7472 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00394 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A
(Escherichia coli (strain K12)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
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PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Angelini S.p.A.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins by ele... |
J Med Chem 62: 7445-7472 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00394 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Angelini S.p.A.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA measured after 60 mins b... |
J Med Chem 62: 7445-7472 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00394 |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit A
(Escherichia coli (strain K12)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
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CHEMBL
PC cid
PC sid
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| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Angelini S.p.A.
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 60 mins by eth... |
J Med Chem 62: 7445-7472 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00394 |
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A
(Escherichia coli (strain K12)) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
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CHEMBL
PC cid
PC sid
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| PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute of Chemistry
Curated by ChEMBL
| Assay Description
Inhibition of Escherichia coli N-terminal His6-tagged DNA gyrase A expressed in Escherichia coli using relaxed pBR322 DNA as substrate incubated for ... |
J Med Chem 63: 5664-5674 (2020)
|
More data for this
Ligand-Target Pair | |
DNA gyrase subunit A/B
(Staphylococcus aureus) | BDBM50393503
(CHEMBL2158050)Show SMILES COc1ccc2ncc(F)c([C@@H](O)CC[C@@H]3CCN(CCSc4cccs4)C[C@@H]3C(O)=O)c2c1 |r| Show InChI InChI=1S/C25H29FN2O4S2/c1-32-17-5-6-21-18(13-17)24(20(26)14-27-21)22(29)7-4-16-8-9-28(15-19(16)25(30)31)10-12-34-23-3-2-11-33-23/h2-3,5-6,11,13-14,16,19,22,29H,4,7-10,12,15H2,1H3,(H,30,31)/t16-,19+,22+/m1/s1 | PDB
MMDB
KEGG
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CHEMBL
PC cid
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| Article
PubMed
| n/a | n/a | 1.56E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA gyrase |
Bioorg Med Chem Lett 23: 2955-61 (2013)
Article DOI: 10.1016/j.bmcl.2013.03.047
BindingDB Entry DOI: 10.7270/Q2KW5JXG |
More data for this
Ligand-Target Pair | |
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