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Compile Data Set for Download or QSAR

Found 77 hits of ic50 for UniProtKB: P0A0J7   
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
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211232
PNG
(CHEMBL3929187)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
KEGG

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n/an/a 1.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211228
PNG
(CHEMBL3956740)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434974
PNG
(CHEMBL2385690)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCN(Cc3ccccc3)CC2)c2ccccc2n1
Show InChI InChI=1S/C31H35N3O2/c1-2-21-35-27-14-12-26(13-15-27)30-23-31(28-10-6-7-11-29(28)32-30)36-22-20-33-16-18-34(19-17-33)24-25-8-4-3-5-9-25/h3-15,23H,2,16-22,24H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211230
PNG
(CHEMBL3948087)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCNCc3ccc(F)c(OC)c3)cc12
KEGG

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n/an/a 3.83E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434973
PNG
(CHEMBL2385681)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCCN(C)C)c2ccccc2n1
Show InChI InChI=1S/C23H28N2O2/c1-4-15-26-19-12-10-18(11-13-19)22-17-23(27-16-7-14-25(2)3)20-8-5-6-9-21(20)24-22/h5-6,8-13,17H,4,7,14-16H2,1-3H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153269
PNG
(CHEMBL3775575)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(c2)[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-9-7-10-22(17-21)30(32)33)25-12-11-23(18-24(25)26)35-16-8-15-28-13-5-4-6-14-28/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153186
PNG
(CHEMBL3774520)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2F)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-10-5-6-11-24(21)28)25-13-12-22(18-23(25)26)33-17-9-16-29-14-7-4-8-15-29/h5-6,10-13,18H,3-4,7-9,14-17,19H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153316
PNG
(CHEMBL3775207)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2C)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-12-7-6-11-21(23)2)26-14-13-24(19-25(26)27)33-18-10-17-29-15-8-5-9-16-29/h6-7,11-14,19H,4-5,8-10,15-18,20H2,1-3H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50211229
PNG
(CHEMBL3955315)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CNCc3ccc(Oc4nnnn4-c4ccccc4)c(OC)c3)cc12
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n/an/a 4.93E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153183
PNG
(CHEMBL3774548)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2OC)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-11-6-7-12-26(22)32-3)25-14-13-23(19-24(25)27)34-18-10-17-29-15-8-5-9-16-29/h6-7,11-14,19H,4-5,8-10,15-18,20H2,1-3H3
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n/an/a 5.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153314
PNG
(CHEMBL3774689)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(F)CN3CCCCC3)cc12
Show InChI InChI=1/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(17-21-10-6-4-7-11-21)25-13-12-23(16-24(25)26)33-19-22(28)18-29-14-8-5-9-15-29/h4,6-7,10-13,16,22H,3,5,8-9,14-15,17-19H2,1-2H3
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153284
PNG
(CHEMBL3775852)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3CCCCC3)cc12
Show InChI InChI=1/C27H34N2O4/c1-3-32-27(31)26-20(2)29(17-21-10-6-4-7-11-21)25-13-12-23(16-24(25)26)33-19-22(30)18-28-14-8-5-9-15-28/h4,6-7,10-13,16,22,30H,3,5,8-9,14-15,17-19H2,1-2H3
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n/an/a 5.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153278
PNG
(CHEMBL3775105)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-21(2)29(20-22-11-6-4-7-12-22)25-14-13-23(19-24(25)26)32-18-10-17-28-15-8-5-9-16-28/h4,6-7,11-14,19H,3,5,8-10,15-18,20H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153278
PNG
(CHEMBL3775105)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H34N2O3/c1-3-31-27(30)26-21(2)29(20-22-11-6-4-7-12-22)25-14-13-23(19-24(25)26)32-18-10-17-28-15-8-5-9-16-28/h4,6-7,11-14,19H,3,5,8-10,15-18,20H2,1-2H3
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n/an/a 6.00E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus 1199B NorA assessed as inhibition of ethidium bromide efflux measured after 5 mins by fluorometric method


J Med Chem 60: 517-523 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01281
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153187
PNG
(CHEMBL3775401)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(F)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-9-7-10-22(28)17-21)25-12-11-23(18-24(25)26)33-16-8-15-29-13-5-4-6-14-29/h7,9-12,17-18H,3-6,8,13-16,19H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153271
PNG
(CHEMBL3774968)
Show SMILES CCOC(=O)Cc1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCCCCC3)cc12
Show InChI InChI=1S/C29H38N2O3/c1-3-33-29(32)21-26-23(2)31(22-24-12-7-6-8-13-24)28-15-14-25(20-27(26)28)34-19-11-18-30-16-9-4-5-10-17-30/h6-8,12-15,20H,3-5,9-11,16-19,21-22H2,1-2H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153317
PNG
(CHEMBL3774886)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(C)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-11-8-10-21(2)18-23)26-13-12-24(19-25(26)27)33-17-9-16-29-14-6-5-7-15-29/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3
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n/an/a 6.10E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153268
PNG
(CHEMBL3775173)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-10-5-6-11-24(21)30(32)33)25-13-12-22(18-23(25)26)35-17-9-16-28-14-7-4-8-15-28/h5-6,10-13,18H,3-4,7-9,14-17,19H2,1-2H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434972
PNG
(CHEMBL2385684)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCCCCC2)c2ccccc2n1
Show InChI InChI=1S/C26H32N2O2/c1-2-18-29-22-13-11-21(12-14-22)25-20-26(23-9-5-6-10-24(23)27-25)30-19-17-28-15-7-3-4-8-16-28/h5-6,9-14,20H,2-4,7-8,15-19H2,1H3
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153270
PNG
(CHEMBL3775819)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(cc2)[N+]([O-])=O)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33N3O5/c1-3-34-27(31)26-20(2)29(19-21-8-10-22(11-9-21)30(32)33)25-13-12-23(18-24(25)26)35-17-7-16-28-14-5-4-6-15-28/h8-13,18H,3-7,14-17,19H2,1-2H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153272
PNG
(CHEMBL3775722)
Show SMILES Cc1cc2cc(OCCCN3CCCCC3)ccc2n1Cc1ccccc1
Show InChI InChI=1S/C24H30N2O/c1-20-17-22-18-23(27-16-8-15-25-13-6-3-7-14-25)11-12-24(22)26(20)19-21-9-4-2-5-10-21/h2,4-5,9-12,17-18H,3,6-8,13-16,19H2,1H3
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n/an/a 6.60E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153182
PNG
(CHEMBL3775053)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(C)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O3/c1-4-32-28(31)27-22(3)30(20-23-11-9-21(2)10-12-23)26-14-13-24(19-25(26)27)33-18-8-17-29-15-6-5-7-16-29/h9-14,19H,4-8,15-18,20H2,1-3H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153283
PNG
(CHEMBL3774445)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCCN)cc12
Show InChI InChI=1S/C23H28N2O3/c1-3-27-23(26)22-17(2)25(16-18-9-5-4-6-10-18)21-12-11-19(15-20(21)22)28-14-8-7-13-24/h4-6,9-12,15H,3,7-8,13-14,16,24H2,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153285
PNG
(CHEMBL3774995)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)CN3CCCCCC3)cc12
Show InChI InChI=1/C28H36N2O4/c1-3-33-28(32)27-21(2)30(18-22-11-7-6-8-12-22)26-14-13-24(17-25(26)27)34-20-23(31)19-29-15-9-4-5-10-16-29/h6-8,11-14,17,23,31H,3-5,9-10,15-16,18-20H2,1-2H3
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM22416
PNG
((3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-f...)
Show SMILES Fc1ccc(cc1)[C@@H]1CCNC[C@H]1COc1ccc2OCOc2c1
Show InChI InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universita` degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay


J Med Chem 54: 5722-36 (2011)


Article DOI: 10.1021/jm200370y
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50350506
PNG
(CHEMBL1651181)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCCCC2)c2ccccc2n1
Show InChI InChI=1S/C25H30N2O2/c1-2-17-28-21-12-10-20(11-13-21)24-19-25(22-8-4-5-9-23(22)26-24)29-18-16-27-14-6-3-7-15-27/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universita` degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay


J Med Chem 54: 5722-36 (2011)


Article DOI: 10.1021/jm200370y
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50350505
PNG
(CHEMBL1651180)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN(CC)CC)c2ccccc2n1
Show InChI InChI=1S/C24H30N2O2/c1-4-16-27-20-13-11-19(12-14-20)23-18-24(28-17-15-26(5-2)6-3)21-9-7-8-10-22(21)25-23/h7-14,18H,4-6,15-17H2,1-3H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



Universita` degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay


J Med Chem 54: 5722-36 (2011)


Article DOI: 10.1021/jm200370y
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
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Universita` degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B assessed as inhibition of ethidium bromide efflux dose response curve based fluorometric assay


J Med Chem 54: 5722-36 (2011)


Article DOI: 10.1021/jm200370y
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153185
PNG
(CHEMBL3775726)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(OC)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-9-11-23(32-3)12-10-22)26-14-13-24(19-25(26)27)34-18-8-17-29-15-6-5-7-16-29/h9-14,19H,4-8,15-18,20H2,1-3H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153184
PNG
(CHEMBL3774891)
Show SMILES CCOC(=O)c1c(C)n(Cc2cccc(OC)c2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C28H36N2O4/c1-4-33-28(31)27-21(2)30(20-22-10-8-11-23(18-22)32-3)26-13-12-24(19-25(26)27)34-17-9-16-29-14-6-5-7-15-29/h8,10-13,18-19H,4-7,9,14-17,20H2,1-3H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434971
PNG
(CHEMBL2385677)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCC(C)N(C)C)c2ccccc2n1
Show InChI InChI=1S/C23H28N2O2/c1-5-14-26-19-12-10-18(11-13-19)22-15-23(27-16-17(2)25(3)4)20-8-6-7-9-21(20)24-22/h6-13,15,17H,5,14,16H2,1-4H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50393706
PNG
(CHEMBL2158999)
Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccc(cc1)N(C)C
Show InChI InChI=1S/C21H26N2O2/c1-22(2)15-16-25-20-12-8-18(9-13-20)21(24)14-7-17-5-10-19(11-6-17)23(3)4/h5-14H,15-16H2,1-4H3/b14-7+
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n/an/a 7.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis


Bioorg Med Chem 20: 4514-21 (2012)


Article DOI: 10.1016/j.bmc.2012.05.025
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434970
PNG
(CHEMBL2385678)
Show SMILES CCCOc1ccc(cc1)-c1cc(OC2CCCN(C)C2)c2ccccc2n1
Show InChI InChI=1S/C24H28N2O2/c1-3-15-27-19-12-10-18(11-13-19)23-16-24(21-8-4-5-9-22(21)25-23)28-20-7-6-14-26(2)17-20/h4-5,8-13,16,20H,3,6-7,14-15,17H2,1-2H3
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
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University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis


Bioorg Med Chem 20: 4514-21 (2012)


Article DOI: 10.1016/j.bmc.2012.05.025
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434968
PNG
(CHEMBL2385688)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCNCC2)c2ccccc2n1
Show InChI InChI=1S/C24H29N3O2/c1-2-16-28-20-9-7-19(8-10-20)23-18-24(21-5-3-4-6-22(21)26-23)29-17-15-27-13-11-25-12-14-27/h3-10,18,25H,2,11-17H2,1H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434969
PNG
(CHEMBL2385680)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN(C(C)C)C(C)C)c2ccccc2n1
Show InChI InChI=1S/C26H34N2O2/c1-6-16-29-22-13-11-21(12-14-22)25-18-26(23-9-7-8-10-24(23)27-25)30-17-15-28(19(2)3)20(4)5/h7-14,18-20H,6,15-17H2,1-5H3
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Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434967
PNG
(CHEMBL2385667)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCC3(CC2)OCCO3)c2ccccc2n1
Show InChI InChI=1S/C27H32N2O4/c1-2-16-30-22-9-7-21(8-10-22)25-20-26(23-5-3-4-6-24(23)28-25)31-17-15-29-13-11-27(12-14-29)32-18-19-33-27/h3-10,20H,2,11-19H2,1H3
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n/an/a 8.50E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153192
PNG
(CHEMBL3775789)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccc(F)cc2)c2ccc(OCCCN3CCCCC3)cc12
Show InChI InChI=1S/C27H33FN2O3/c1-3-32-27(31)26-20(2)30(19-21-8-10-22(28)11-9-21)25-13-12-23(18-24(25)26)33-17-7-16-29-14-5-4-6-15-29/h8-13,18H,3-7,14-17,19H2,1-2H3
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University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50350505
PNG
(CHEMBL1651180)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN(CC)CC)c2ccccc2n1
Show InChI InChI=1S/C24H30N2O2/c1-4-16-27-20-13-11-19(12-14-20)23-18-24(28-17-15-26(5-2)6-3)21-9-7-8-10-22(21)25-23/h7-14,18H,4-6,15-17H2,1-3H3
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n/an/a 8.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50393707
PNG
(CHEMBL2158998)
Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C25H25NO3/c1-26(2)18-19-28-22-15-11-21(12-16-22)25(27)17-10-20-8-13-24(14-9-20)29-23-6-4-3-5-7-23/h3-17H,18-19H2,1-2H3/b17-10+
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n/an/a 9.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of norA-mediated ethidium bromide efflux in methicillin-resistant Staphylococcus aureus SA-1199B by spectrofluorometric analysis


Bioorg Med Chem 20: 4514-21 (2012)


Article DOI: 10.1016/j.bmc.2012.05.025
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434966
PNG
(CHEMBL2385691)
Show SMILES CCCCN(CCCC)CCOc1cc(nc2ccccc12)-c1ccc(OCCC)cc1
Show InChI InChI=1S/C28H38N2O2/c1-4-7-17-30(18-8-5-2)19-21-32-28-22-27(29-26-12-10-9-11-25(26)28)23-13-15-24(16-14-23)31-20-6-3/h9-16,22H,4-8,17-21H2,1-3H3
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n/an/a 9.20E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50017712
PNG
((-)-reserpine | (3beta,16beta,17alpha,18beta,20alp...)
Show SMILES CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1 |r|
Show InChI InChI=1S/C33H40N2O9/c1-38-19-7-8-20-21-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)22(18)15-24(35)29(21)34-23(20)14-19/h7-8,11-12,14,18,22,24,27-28,31,34H,9-10,13,15-16H2,1-6H3/t18-,22+,24-,27-,28+,31+/m1/s1
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Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434964
PNG
(CHEMBL2385683)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCCC2)c2ccccc2n1
Show InChI InChI=1S/C24H28N2O2/c1-2-16-27-20-11-9-19(10-12-20)23-18-24(21-7-3-4-8-22(21)25-23)28-17-15-26-13-5-6-14-26/h3-4,7-12,18H,2,5-6,13-17H2,1H3
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n/an/a 9.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434965
PNG
(CHEMBL2385675)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN)c2ccccc2n1
Show InChI InChI=1S/C20H22N2O2/c1-2-12-23-16-9-7-15(8-10-16)19-14-20(24-13-11-21)17-5-3-4-6-18(17)22-19/h3-10,14H,2,11-13,21H2,1H3
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Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434963
PNG
(CHEMBL2385689)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN2CCN(C)CC2)c2ccccc2n1
Show InChI InChI=1S/C25H31N3O2/c1-3-17-29-21-10-8-20(9-11-21)24-19-25(22-6-4-5-7-23(22)26-24)30-18-16-28-14-12-27(2)13-15-28/h4-11,19H,3,12-18H2,1-2H3
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UniChem
Article
PubMed
n/an/a 9.70E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50434962
PNG
(CHEMBL2385670)
Show SMILES CCCOc1ccc(cc1)-c1cc(OCCN(C)C)c2ccccc2n1
Show InChI InChI=1S/C22H26N2O2/c1-4-14-25-18-11-9-17(10-12-18)21-16-22(26-15-13-24(2)3)19-7-5-6-8-20(19)23-21/h5-12,16H,4,13-15H2,1-3H3
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n/an/a 9.90E+3n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA in Staphylococcus aureus 1199B harboring grlA A116E mutant assessed as inhibition of ethidium bromide efflux measured for 5 mins b...


J Med Chem 56: 4975-89 (2013)


Article DOI: 10.1021/jm400262a
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50386656
PNG
(CHEMBL2048632)
Show SMILES [O-][N+](=O)c1ccc(cc1)-n1nc(c2NS(=O)(=O)c3ccccc3-c12)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H13ClN4O4S/c22-14-7-5-13(6-8-14)19-20-21(17-3-1-2-4-18(17)31(29,30)24-20)25(23-19)15-9-11-16(12-10-15)26(27)28/h1-12,24H
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ degli Studi di Perugia

Curated by ChEMBL


Assay Description
Inhibition of norA-mediated EtBr efflux in Staphylococcus aureus SA1199B overexpressing norA and expressing A116E GrlA mutation by fluorometry


J Med Chem 55: 3568-72 (2012)


Article DOI: 10.1021/jm201446h
More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153277
PNG
(CHEMBL3774527)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCN3CCN(C)CC3)cc12
Show InChI InChI=1S/C26H33N3O3/c1-4-31-26(30)25-20(2)29(19-21-8-6-5-7-9-21)24-11-10-22(18-23(24)25)32-17-16-28-14-12-27(3)13-15-28/h5-11,18H,4,12-17,19H2,1-3H3
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n/an/a 1.01E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153288
PNG
(CHEMBL3775693)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(N)CO)cc12
Show InChI InChI=1/C22H26N2O4/c1-3-27-22(26)21-15(2)24(12-16-7-5-4-6-8-16)20-10-9-18(11-19(20)21)28-14-17(23)13-25/h4-11,17,25H,3,12-14,23H2,1-2H3
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n/an/a 1.04E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
Quinolone resistance protein norA


(Staphylococcus aureus)
BDBM50153279
PNG
(CHEMBL3775483)
Show SMILES CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCCCN3CCOCC3)cc12
Show InChI InChI=1S/C26H32N2O4/c1-3-31-26(29)25-20(2)28(19-21-8-5-4-6-9-21)24-11-10-22(18-23(24)25)32-15-7-12-27-13-16-30-17-14-27/h4-6,8-11,18H,3,7,12-17,19H2,1-2H3
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PubMed
n/an/a 1.06E+4n/an/an/an/an/an/a



University of Perugia

Curated by ChEMBL


Assay Description
Inhibition of NorA efflux pump in Staphylococcus aureus 1199B assessed as reduction in EtBr efflux incubated for 20 mins measured for 5 mins by real-...


J Med Chem 59: 867-91 (2016)

More data for this
Ligand-Target Pair
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