Found 7 hits of ic50 for UniProtKB: Q2FYS5 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 |
|---|
DNA topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50058509
(CHEMBL3329317)Show SMILES CCNC(=O)Nc1cc(Nc2ccc(O)cc2)c(cn1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C20H20N6O3/c1-2-22-20(29)26-18-10-17(24-13-5-7-15(27)8-6-13)16(12-23-18)19(28)25-14-4-3-9-21-11-14/h3-12,27H,2H2,1H3,(H,25,28)(H3,22,23,24,26,29) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leeds
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus ParE |
Eur J Med Chem 86: 31-8 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50393080
(CHEMBL2152856)Show SMILES CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)OP([O-])([O-])=O |r| Show InChI InChI=1S/C21H26FN6O6P/c1-4-23-20(29)28-19-26-13-8-12(16(22)15(17(13)27-19)14-6-5-7-33-14)11-9-24-18(25-10-11)21(2,3)34-35(30,31)32/h8-10,14H,4-7H2,1-3H3,(H2,30,31,32)(H3,23,26,27,28,29)/p-2/t14-/m1/s1 | PDB
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UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus DNA topoisomerase 4 Par E subunit by ATPase assay |
ACS Med Chem Lett 3: 783-784 (2012)
Article DOI: 10.1021/ml300234y
BindingDB Entry DOI: 10.7270/Q2N29Z1N |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 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
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| n/a | n/a | 183 | 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 parE ATPase activity incubated for 30 mins by fluorescence polarization assay |
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 topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50173878
(CHEMBL3809316)Show InChI InChI=1S/C16H13N5OS/c1-2-21-13(22)6-5-11-14(19-20-15(11)21)12-9-18-16(23-12)10-4-3-7-17-8-10/h3-9H,2H2,1H3,(H,19,20) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 746 | 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 parE ATPase activity incubated for 30 mins by fluorescence polarization assay |
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 topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50058510
(CHEMBL3329319)Show SMILES CCNC(=O)Nc1cc(Nc2ccc(OC)cc2OC)c(cn1)C(=O)Nc1cccnc1 Show InChI InChI=1S/C22H24N6O4/c1-4-24-22(30)28-20-11-18(27-17-8-7-15(31-2)10-19(17)32-3)16(13-25-20)21(29)26-14-6-5-9-23-12-14/h5-13H,4H2,1-3H3,(H,26,29)(H3,24,25,27,28,30) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 800 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Leeds
Curated by ChEMBL
| Assay Description
Inhibition of Staphylococcus aureus ParE |
Eur J Med Chem 86: 31-8 (2014)
Article DOI: 10.1016/j.ejmech.2014.08.025
BindingDB Entry DOI: 10.7270/Q2S75J0P |
More data for this
Ligand-Target Pair | |
DNA topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50226181
((3R,4S,5R,6R)-5-hydroxy-6-(4-hydroxy-3-(4-hydroxy-...)Show SMILES [#6]-[#8]-[#6@@H]1-[#6@@H](-[#8]-[#6](-[#7])=O)-[#6@@H](-[#8])-[#6@H](-[#8]-c2ccc3c(-[#8])c(-[#7]-[#6](=O)-c4ccc(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6])c4)c(=O)oc3c2-[#6])-[#8]C1([#6])[#6] |r| Show InChI InChI=1S/C31H36N2O11/c1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29/h7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37)/t23-,25+,26-,29-/m1/s1 | PDB
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CHEMBL
DrugBank
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| n/a | n/a | 7.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Staphylococcus aures ParE using pBR322 DNA as substrate in presence of ATP |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.112022
BindingDB Entry DOI: 10.7270/Q2CC149W |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
DNA topoisomerase 4 subunit B
(Staphylococcus aureus) | BDBM50550961
(CHEMBL4764715)Show SMILES CCn1c2ccccc2c(O)c(C(=O)Nc2nnc(s2)-c2nccs2)c1=O | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of Staphylococcus aures ParE using pBR322 DNA as substrate in presence of ATP |
Citation and Details
Article DOI: 10.1016/j.ejmech.2019.112022
BindingDB Entry DOI: 10.7270/Q2CC149W |
More data for this
Ligand-Target Pair | |
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