BDBM50131428 1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid::1-Cyclopropyl-6-fluoro-8-methoxy-7-(4S,4aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid::1-Cyclopropyl-6-fluoro-8-methoxy-7-(4aS,7aS)-octahydro-pyrrolo[3,4-b]pyridin-6-yl-4-oxo-1,4-dihydro-quinoline-3-carboxylic acid::1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,2,3,4-tetrahydro-quinoline-3-carboxylic acid::1-Cyclopropyl-6-fluoro-8-methoxy-7-(octahydro-pyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid(moxifloxacin)::1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydro-1H-pyrrolo[3,4-b]pyridin-7-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::1-cyclopropyl-6-fluoro-8-methoxy-7-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::1-cyclopropyl-6-fluoro-8-methoxy-7-[(4aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::5-fluoro-7-methoxy-6-((4aS,7aS)-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid::Avelox::CHEMBL32::MOXIFLOXACIN::Moxifloxin::Vigamox::motifloxacin
SMILES: COc1c(N2CC3CCCNC3C2)c(F)cc2C(=O)C(CN(C3CC3)c12)C(O)=O
InChI Key: InChIKey=RGCXUJSMRUJKKB-UHFFFAOYSA-N
Data: 4 IC50
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 subunit A (Mycobacterium tuberculosis (strain ATCC 25618 / H3...) | BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 9.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of DNA supercoiling activity of wild type Mycobacterium tuberculosis DNA gyrase A | Antimicrob Agents Chemother 54: 3478-80 (2010) Article DOI: 10.1128/AAC.00287-10 BindingDB Entry DOI: 10.7270/Q2959HS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Topoisomerase IV subunit A (Staphylococcus aureus) | BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB 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 |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against wild type Staphylococcus aureus topoisomerase 4 | Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Escherichia coli (strain K12)) | BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against wild type Escherichia coli gyrase | Bioorg Med Chem Lett 16: 1272-6 (2006) Article DOI: 10.1016/j.bmcl.2005.11.065 BindingDB Entry DOI: 10.7270/Q22R3R76 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Topoisomerase IV subunit A (Staphylococcus aureus) | BDBM50131428 (1-Cyclopropyl-6-fluoro-8-methoxy-7-(1S,7aS)-octahy...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB 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 |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibitory activity against Staphylococcus aureus ATCC 29213 wild type Topo 4 | Bioorg Med Chem Lett 16: 1277-81 (2006) Article DOI: 10.1016/j.bmcl.2005.11.064 BindingDB Entry DOI: 10.7270/Q26D5SKN | |||||||||||
More data for this Ligand-Target Pair |