BDBM50393079 CHEMBL2152855::US9040542, 23
SMILES: CCNC(=O)Nc1nc2cc(c(F)c([C@H]3CCCO3)c2[nH]1)-c1cnc(nc1)C(C)(C)O
InChI Key: InChIKey=BKUISYCLLXCBJV-CQSZACIVSA-N
Data: 7 KI
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 Gyrase (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | <0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase | ACS Med Chem Lett 6: 822-6 (2015) BindingDB Entry DOI: 10.7270/Q2J67JPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Topoisomerase IV (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA topoisomerase 4 | ACS Med Chem Lett 6: 822-6 (2015) BindingDB Entry DOI: 10.7270/Q2J67JPW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase Subunit B (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase Gyr B 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 Gyrase (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 9 | n/a | n/a | n/a | n/a | n/a | n/a | 7.6 | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description The ATP hydrolysis activity of S. aureus DNA gyrase is measured by coupling the production of ADP through pyruvate kinase/lactate dehydrogenase to th... | US Patent US9040542 (2015) BindingDB Entry DOI: 10.7270/Q2F18XHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Vertex Pharmaceuticals Inc Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay | J Med Chem 57: 8792-816 (2014) Article DOI: 10.1021/jm500563g BindingDB Entry DOI: 10.7270/Q2TF01BF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA topoisomerase 4 subunit B (parE) (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 12 | n/a | n/a | 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 (Staphylococcus aureus) | BDBM50393079 (CHEMBL2152855 | US9040542, 23) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | US Patent | 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
VERTEX PHARMACEUTICALS INCORPORATED US Patent | Assay Description The conversion of ATP to ADP by S. aureus TopoIV enzyme is coupled to the conversion of NADH to NAD+, and the progress of the reaction is measured by... | US Patent US9040542 (2015) BindingDB Entry DOI: 10.7270/Q2F18XHX | |||||||||||
More data for this Ligand-Target Pair |