BDBM50178917 (S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid::(Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid::7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidin-1-yl)-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid::7-{3-Aminomethyl-4-[(Z)-methoxyimino]-pyrrolidin-1-yl}-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylic acid::CHEMBL430::Factive::GEMIFLOXACIN
SMILES: CO\N=C1/CN(CC1CN)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
InChI Key: InChIKey=ZRCVYEYHRGVLOC-HYARGMPZSA-N
Data: 12 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Topoisomerase IV subunit A (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents 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 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)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | 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 | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >1.00E+6 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Ability to inhibit HMG-CoA reductase (HMGR) by cholesterol synthesis inhibition screen (CSI) in rats | Drug Metab Dispos 40: 2332-41 (2012) Article DOI: 10.1124/dmd.112.047068 BindingDB Entry DOI: 10.7270/Q2ZP488M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Bile salt export pump (Homo sapiens (Human)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Multidrug resistance-associated protein 4 (Homo sapiens (Human)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 7.32E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of wild-type Staphylococcus aureus DNA gyrase assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophoresis ass... | J Med Chem 54: 3268-82 (2011) Article DOI: 10.1021/jm101604v BindingDB Entry DOI: 10.7270/Q28S4SRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 1 (Homo sapiens (Human)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description The compound was tested on recombinant human alpha2-beta4 cell lines of Human embryonic kidney for nicotinic acetylcholine receptor agonist functiona... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase by supercoiling assay | J Med Chem 50: 199-210 (2007) Article DOI: 10.1021/jm060844e BindingDB Entry DOI: 10.7270/Q2R78J0H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus wild-type DNA gyrase supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to supercoiled ... | Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase Subunit A (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase gyrA S84L mutant supercoiling activity assessed as effect on conversion of relaxed pBR322 DNA to super... | Antimicrob Agents Chemother 51: 2445-53 (2007) Article DOI: 10.1128/aac.00158-07 BindingDB Entry DOI: 10.7270/Q2QR50XQ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
DNA Gyrase Subunit A (Staphylococcus aureus) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | >2.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Achillion Pharmaceuticals, Inc. Curated by ChEMBL | Assay Description Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant assessed as inhibition of supercoiling of pBR322 DNA after 60 min by gel electrophores... | J Med Chem 54: 3268-82 (2011) Article DOI: 10.1021/jm101604v BindingDB Entry DOI: 10.7270/Q28S4SRX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Canalicular multispecific organic anion transporter 2 (Homo sapiens (Human)) | BDBM50178917 ((S,Z)-7-(3-(aminomethyl)-4-(methoxyimino)pyrrolidi...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc Curated by ChEMBL | Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... | Toxicol Sci 136: 216-41 (2013) BindingDB Entry DOI: 10.7270/Q2JM2D2D | |||||||||||
More data for this Ligand-Target Pair |