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PubMed code 22682300

Compile data set for download or QSAR
Found 11 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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
BindingDB Entry DOI: 10.7270/Q2K075D0
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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PubMed
n/an/a 8.20E+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
BindingDB Entry DOI: 10.7270/Q2K075D0
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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PubMed
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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393711
PNG
(CHEMBL358518)
Show SMILES COc1cc(O)cc(C)c1\C=C\C(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H16O4/c1-11-9-14(19)10-17(21-2)15(11)7-8-16(20)12-3-5-13(18)6-4-12/h3-10,18-19H,1-2H3/b8-7+
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n/an/a 1.34E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393710
PNG
(CHEMBL422481)
Show SMILES COc1ccc(OC)c(\C=C\C(=O)c2ccc(O)cc2)c1
Show InChI InChI=1S/C17H16O4/c1-20-15-8-10-17(21-2)13(11-15)5-9-16(19)12-3-6-14(18)7-4-12/h3-11,18H,1-2H3/b9-5+
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PubMed
n/an/a 1.50E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393709
PNG
(CHEMBL2158996)
Show SMILES OC(=O)COc1ccc(\C=C\C(=O)c2ccccc2OCC=C)cc1
Show InChI InChI=1S/C20H18O5/c1-2-13-24-19-6-4-3-5-17(19)18(21)12-9-15-7-10-16(11-8-15)25-14-20(22)23/h2-12H,1,13-14H2,(H,22,23)/b12-9+
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n/an/a 1.69E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393708
PNG
(CHEMBL2158997)
Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1F
Show InChI InChI=1S/C19H20FNO2/c1-21(2)13-14-23-17-10-7-16(8-11-17)19(22)12-9-15-5-3-4-6-18(15)20/h3-12H,13-14H2,1-2H3/b12-9+
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n/an/a 1.81E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393714
PNG
(CHEMBL142493)
Show SMILES COc1cccc(\C=C\C(=O)c2ccc(O)cc2)c1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-5-3-4-13(17(16)21-2)8-11-15(19)12-6-9-14(18)10-7-12/h3-11,18H,1-2H3/b11-8+
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n/an/a 2.43E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393713
PNG
(CHEMBL2158995)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)cc1OC
Show InChI InChI=1S/C17H16O4/c1-20-16-10-4-12(11-17(16)21-2)3-9-15(19)13-5-7-14(18)8-6-13/h3-11,18H,1-2H3/b9-3+
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PubMed
n/an/a 2.65E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393715
PNG
(CHEMBL2158994)
Show SMILES CN(C)CCOc1ccc(cc1)C(=O)\C=C\c1ccccc1
Show InChI InChI=1S/C19H21NO2/c1-20(2)14-15-22-18-11-9-17(10-12-18)19(21)13-8-16-6-4-3-5-7-16/h3-13H,14-15H2,1-2H3/b13-8+
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n/an/a 2.84E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
Quinolone resistance protein NorA


(Staphylococcus aureus)
BDBM50393712
PNG
(CHEMBL434066)
Show SMILES COc1ccc(\C=C\C(=O)c2ccc(O)cc2)c(OC)c1
Show InChI InChI=1S/C17H16O4/c1-20-15-9-5-13(17(11-15)21-2)6-10-16(19)12-3-7-14(18)8-4-12/h3-11,18H,1-2H3/b10-6+
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PubMed
n/an/a 2.91E+4n/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
BindingDB Entry DOI: 10.7270/Q2K075D0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%