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BDBM50178881 9-cyclopropyl-7-(2,6-dimethoxypyridin-3-yl)-6-fluoroisothiazolo[5,4-b]quinoline-3,4(2H,9H)-dione::CHEMBL206553

SMILES: COc1ccc(c(OC)n1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F

InChI Key: InChIKey=QSZTVRPKJCEKPM-UHFFFAOYSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50178881   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50178881
PNG
(9-cyclopropyl-7-(2,6-dimethoxypyridin-3-yl)-6-fluo...)
Show SMILES COc1ccc(c(OC)n1)-c1cc2n(C3CC3)c3s[nH]c(=O)c3c(=O)c2cc1F
Show InChI InChI=1S/C20H16FN3O4S/c1-27-15-6-5-10(19(22-15)28-2)11-8-14-12(7-13(11)21)17(25)16-18(26)23-29-20(16)24(14)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,23,26)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.60E+4n/an/an/an/an/an/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