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BDBM21690 1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid::1-cyclopropyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydroquinoline-3-carboxylic acid::Bay 09867::CHEMBL8::Ciprinol::Cipro::Ciprofloxacin::US9138393, Ciprofloxacin HCl::US9144538, Ciprofloxacin HCl

SMILES: OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O

InChI Key: InChIKey=MYSWGUAQZAJSOK-UHFFFAOYSA-N

Data: 2 KI  87 IC50  1 Kd  1 EC50

PDB links: 6 PDB IDs match this monomer.

Find this compound or compounds like it in BindingDB:
Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 91 hits for monomerid = 21690   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 603n/an/an/an/an/an/a



Lucigen Corporation

Curated by ChEMBL


Assay Description
Antibacterial activity against Enterococcus faecalis ATCC 51299 assessed as growth inhibition using fresh sample in DMSO by CLSI method


J Nat Prod 78: 924-8 (2015)


Article DOI: 10.1021/np500911k
BindingDB Entry DOI: 10.7270/Q2GT5R6X
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 6.20E+4n/an/an/an/an/an/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
3D
3D Structure (crystal)
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 5.23E+3n/an/an/an/an/an/a



Jishou University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as reduction in enzyme-mediated DNA supercoiling using relaxed pBR322 substrate incubated for 60 m...


Bioorg Med Chem 22: 3620-8 (2014)


Article DOI: 10.1016/j.bmc.2014.05.018
BindingDB Entry DOI: 10.7270/Q2NV9N7J
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 2.05E+3n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Inhibitory effect against Escherichia coli Gyrase in Supercoiling assay


J Med Chem 39: 4952-7 (1996)


Article DOI: 10.1021/jm960414w
BindingDB Entry DOI: 10.7270/Q2SX6GZP
More data for this
Ligand-Target Pair
DNA gyrase


(Staphylococcus aureus subsp. aureus Mu50)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Wockhardt Limited

Curated by ChEMBL


Assay Description
Inhibition of supercoiling activity of DNA gyrase from Staphylococcus aureus ISP 794


J Med Chem 48: 5232-42 (2005)


Article DOI: 10.1021/jm050035f
BindingDB Entry DOI: 10.7270/Q2K0771W
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Wockhardt Limited

Curated by ChEMBL


Assay Description
Inhibition of supercoiling activity of topoisomerase IV from Staphylococcus aureus ISP 794; Range = 2.5-5 ug/mL


J Med Chem 48: 5232-42 (2005)


Article DOI: 10.1021/jm050035f
BindingDB Entry DOI: 10.7270/Q2K0771W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 6.03E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA gyrase of Staphylococcus aureus


J Med Chem 48: 3194-202 (2005)


Article DOI: 10.1021/jm0402061
BindingDB Entry DOI: 10.7270/Q2W95CXB
More data for this
Ligand-Target Pair
Topoisomerase I/II


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.54E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human topoisomerase-2alpha using catenated DNA as substrate after 30 mins by ethidium bromide-based gel electrophoresis


J Med Chem 62: 2950-2973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01750
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.21E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase supercoiling activity using relaxed pHOT-1 DNA as substrate after 60 mins by ethidium bromide-based ge...


J Med Chem 62: 2950-2973 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01750
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.81E+4n/an/an/an/an/an/a



Universit£ Paris Diderot

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB assessed as reduction of enzyme supercoiling activity using relaxed pBR322 DNA substrat...


Bioorg Med Chem 21: 948-56 (2013)


Article DOI: 10.1016/j.bmc.2012.12.011
BindingDB Entry DOI: 10.7270/Q2FF3W92
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 6.17E+4n/an/an/an/an/an/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
3D
3D Structure (crystal)
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>3.00E+5n/an/an/an/an/an/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
3D
3D Structure (crystal)
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 9.66E+5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of human ERG current by patch clamp assay


Bioorg Med Chem Lett 23: 3848-51 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.074
BindingDB Entry DOI: 10.7270/Q25B05D2
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 6.20E+4n/an/an/an/an/an/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
3D
3D Structure (crystal)
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>2.00E+5n/an/an/an/an/an/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
3D
3D Structure (crystal)
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 3.92E+4n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus wild type DNA gyrase


Bioorg Med Chem 17: 6879-89 (2009)


Article DOI: 10.1016/j.bmc.2009.08.026
BindingDB Entry DOI: 10.7270/Q2M90CHK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>7.72E+5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase Ser84Leu mutant


Bioorg Med Chem 17: 6879-89 (2009)


Article DOI: 10.1016/j.bmc.2009.08.026
BindingDB Entry DOI: 10.7270/Q2M90CHK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Minnesota Medical School

Curated by ChEMBL


Assay Description
Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA S83W mutant


Antimicrob Agents Chemother 54: 3011-4 (2010)


Article DOI: 10.1128/aac.00190-10
BindingDB Entry DOI: 10.7270/Q2W098SQ
More data for this
Ligand-Target Pair
DNA gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Minnesota Medical School

Curated by ChEMBL


Assay Description
Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA A67S mutant


Antimicrob Agents Chemother 54: 3011-4 (2010)


Article DOI: 10.1128/aac.00190-10
BindingDB Entry DOI: 10.7270/Q2W098SQ
More data for this
Ligand-Target Pair
DNA gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Minnesota Medical School

Curated by ChEMBL


Assay Description
Inhibition of DNA supercoiling activity of Escherichia coli DNA gyrase gyrA G81C mutant


Antimicrob Agents Chemother 54: 3011-4 (2010)


Article DOI: 10.1128/aac.00190-10
BindingDB Entry DOI: 10.7270/Q2W098SQ
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 3.15E+4n/an/an/an/an/an/a



University of Minnesota Medical School

Curated by ChEMBL


Assay Description
Inhibition of DNA supercoiling activity of Staphylococcus aureus DNA gyrase


Antimicrob Agents Chemother 54: 3011-4 (2010)


Article DOI: 10.1128/aac.00190-10
BindingDB Entry DOI: 10.7270/Q2W098SQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Topoisomerase IV Subunit A


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated for 30 ...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
More data for this
Ligand-Target Pair
DNA gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ATCC 25922 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium bromid...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA topoisomerase 4 subunit ParC assessed as reduction in decatenation of kinetoplast DNA incubated fo...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
More data for this
Ligand-Target Pair
DNA Gyrase Subunit A


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.87E+5n/an/an/an/an/an/a



Angelini S.p.A.

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus ATCC 29213 DNA gyrase A assessed as reduction in enzyme-mediated supercoiling of relaxed pBR322 DNA by ethidium b...


J Med Chem 62: 7445-7472 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00394
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA gyrase subunit B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.06E+4n/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase assessed as reduction in supercoiling of relaxed pBR322 DNA substrate after 30 mins by ethidium b...


Eur J Med Chem 161: 399-415 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.031
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 122n/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase super-coiling activity using relaxed pNO1 DNA as substrate incubated for 30 mins by fluorescence assay


Eur J Med Chem 179: 576-590 (2019)


Article DOI: 10.1016/j.ejmech.2019.06.071
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Escherichia coli)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 280n/an/an/an/an/an/a



Imperial College London

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase (A2B2 tetramer) using relaxed pBR322 as substrate preincubated for 30 mins followed by enzyme addition by S...


Bioorg Med Chem 27: (2019)


Article DOI: 10.1016/j.bmc.2019.06.025
More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 13n/an/an/an/an/an/a



King's College London

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pNO1 as substrate by gel based fluorescence assay


J Med Chem 63: 6941-6958 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00328
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 490n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of recombinant full-length C-terminal His6-tagged Escherichia coli DNA gyrase AB supercoiling activity using relaxed DNA as substrate prei...


J Med Chem 63: 7773-7816 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00347
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 200n/an/an/an/an/an/a



Helmholtz Institute for Pharmaceutical Research Saarland (HIPS)

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed PBR322 plasmid DNA as substrate incubated for 30 mins by ethidium bromide staining based agar...


J Med Chem 63: 11707-11724 (2020)

More data for this
Ligand-Target Pair
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 2.64E+4n/an/an/an/an/an/a



King Khalid University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 DNA as substrate incubated for 45 mins by agarose gel electrophoresis method


Eur J Med Chem 188: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
DNA Gyrase


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 1.32E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase using relaxed pBR322 as substrate by gel electrophoresis


ACS Med Chem Lett 11: 2446-2454 (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Topoisomerase IV


(Staphylococcus aureus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 4.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus topoisomerase-4 assessed as reduction in decatenation of kinetoplast DNA agarose gel electrophoresis method


ACS Med Chem Lett 11: 2446-2454 (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 1A2


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concept Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concept Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concept Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concept Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 3A4


(Homo sapiens (Human))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Concept Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 (unknown origin)


Bioorg Med Chem Lett 30: (2020)

More data for this
Ligand-Target Pair
Cytochrome P450 11A1


(Rattus norvegicus)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 0.0120n/an/an/an/an/an/a



Anshan Normal University

Curated by ChEMBL


Assay Description
Antibacterial activity against Enterococcus faecalis MTCC 439 incubated overnight by broth dilution technique


Eur J Med Chem 168: 357-372 (2019)

More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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n/an/a 440n/an/an/an/an/an/a



Beijing Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using relaxed DNA as substrate incubated for 15 mins by ethidium bromide-based agarose gel electrophoresis


Eur J Med Chem 193: (2020)

More data for this
Ligand-Target Pair
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