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BDBM50045000 (NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid::(norfloxacin)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid::1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4,4a,8a-tetrahydro-quinoline-3-carboxylic acid (norfloxacin)::1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid::1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid (Norfloxacin)::1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid(1-norfloxacin)::1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-dihydro-quinoline-3-carboxylic acid(Norfloxacin)::1-ethyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,4-dihydroquinoline-3-carboxylic acid::1-ethyl-6-fluoro-7-hexahydro-1-pyrazinyl-4-oxo-1,4-dihydro-3-quinolinecarboxylic acid::CHEMBL9::Chibroxin::MK-366::NORFLOXACIN::Noroxin

SMILES: CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1

InChI Key: InChIKey=OGJPXUAPXNRGGI-UHFFFAOYSA-N

Data: 2 KI  8 IC50  1 Kd

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50045000   
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
DNA topoisomerase II


(Homo sapiens)
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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PubMed
3.13E+3n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity against sigma receptor


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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2.25E+5n/an/an/an/an/an/an/an/a



Kansas University

Curated by ChEMBL


Assay Description
Binding affinity for dopamine receptor D2 was evaluated by the ability to displace [3H]spiperone


J Med Chem 30: 2283-6 (1987)


Article DOI: 10.1021/jm00395a017
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 in human liver microsomes using bufuralol substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C9 in human liver microsomes using tolbutamide substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a 2.56E+3n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 2C19


(Homo sapiens (human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP2C19 in human liver microsomes using omeprazole substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 in human liver microsomes using phenacetin substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair
Multidrug resistance protein mdtK


(Escherichia coli (strain K12))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/an/a 9.84E+4n/an/an/an/an/a



Iowa State University

Curated by ChEMBL


Assay Description
Binding affinity to Escherichia coli K-12 multidrug efflux protein YdhE expressed in Escherichia coli AG100AX in presence of 0.02% DDM surfactant by ...


Antimicrob Agents Chemother 52: 3052-60 (2008)


Article DOI: 10.1128/AAC.00475-08
BindingDB Entry DOI: 10.7270/Q2BC3ZT0
More data for this
Ligand-Target Pair
Topoisomerase IV subunit A


(Staphylococcus aureus)
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a 3.50E+3n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of topoisomerase 4 decatenation in Staphylococcus aureus ATCC 29213


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a 600n/an/an/an/an/an/a



Achillion Pharmaceuticals, Inc.

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli ATCC 25922


J Med Chem 49: 39-42 (2006)


Article DOI: 10.1021/jm051066d
BindingDB Entry DOI: 10.7270/Q24B30W3
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (human))
BDBM50045000
PNG
((NFLX)1-Ethyl-6-fluoro-4-oxo-7-piperazin-1-yl-1,4-...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1
Show InChI InChI=1S/C16H18FN3O3/c1-2-19-9-11(16(22)23)15(21)10-7-12(17)14(8-13(10)19)20-5-3-18-4-6-20/h7-9,18H,2-6H2,1H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Tongji University

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4 in human liver microsomes using testosterone substrate by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)


Article DOI: 10.1124/dmd.112.048264
BindingDB Entry DOI: 10.7270/Q2K0761G
More data for this
Ligand-Target Pair