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Compile Data Set for Download or QSAR

Found 313 hits of ic50 data for polymerid = 50007112   
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
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2.ClH/c1-26(16-18-8-11-20-21(15-18)28-14-13-27-20)12-4-2-3-5-17-6-9-19(10-7-17)22(23,24)25;/h2-11,15H,12-14,16H2,1H3;1H/b4-2+,5-3+;
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n/an/a<0.100n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophoto...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241355
PNG
(CHEMBL4075121)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C25H25NO.ClH/c1-26(19-21-11-14-25-24(18-21)15-17-27-25)16-5-6-20-9-12-23(13-10-20)22-7-3-2-4-8-22;/h2-14,18H,15-17,19H2,1H3;1H/b6-5+;
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n/an/a 0.330n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241304
PNG
(CHEMBL4077944)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C28H29NO.ClH/c1-29(22-24-15-18-27-12-8-20-30-28(27)21-24)19-7-3-4-9-23-13-16-26(17-14-23)25-10-5-2-6-11-25;/h2-7,9-11,13-18,21H,8,12,19-20,22H2,1H3;1H/b7-3+,9-4+;
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n/an/a 0.360n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50177022
PNG
(CHEMBL3814424)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1cccc2ccoc12
Show InChI InChI=1S/C20H18F3NO.ClH/c1-24(14-17-6-2-5-16-11-13-25-19(16)17)12-3-4-15-7-9-18(10-8-15)20(21,22)23;/h2-11,13H,12,14H2,1H3;1H/b4-3+;
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n/an/a 0.400n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247169
PNG
(CHEMBL4101749)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Show InChI InChI=1S/C25H24N2.ClH/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21;/h2-17,26H,18-19H2,1H3;1H/b7-6+;
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n/an/a 0.400n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465160
PNG
(CHEMBL4284707)
Show SMILES Cl.CN(C\C=C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24F3NO2.ClH/c1-28(18-20-10-13-22-23(17-20)30-16-15-29-22)14-6-4-2-3-5-7-19-8-11-21(12-9-19)24(25,26)27;/h2-13,17H,14-16,18H2,1H3;1H/b3-2+,6-4+,7-5+;
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n/an/a 0.400n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in linezolid-resistant Staphylococcus aureus NRS271 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187723
PNG
(CHEMBL3827961)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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n/an/a 0.490n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187723
PNG
(CHEMBL3827961)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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n/an/a 0.5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophoto...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2.ClH/c1-26(16-18-8-11-20-21(15-18)28-14-13-27-20)12-4-2-3-5-17-6-9-19(10-7-17)22(23,24)25;/h2-11,15H,12-14,16H2,1H3;1H/b4-2+,5-3+;
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n/an/a 0.600n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in linezolid-resistant Staphylococcus aureus NRS271 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247168
PNG
(CHEMBL4086008)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Show InChI InChI=1S/C25H23NO.ClH/c1-26(18-23-19-27-25-12-6-5-11-24(23)25)17-7-8-20-13-15-22(16-14-20)21-9-3-2-4-10-21;/h2-16,19H,17-18H2,1H3;1H/b8-7+;
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n/an/a 0.800n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465159
PNG
(CHEMBL4278050)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20F3NO2.ClH/c1-24(14-16-6-9-18-19(13-16)26-12-11-25-18)10-2-3-15-4-7-17(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 1.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in linezolid-resistant Staphylococcus aureus NRS271 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotome...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465160
PNG
(CHEMBL4284707)
Show SMILES Cl.CN(C\C=C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24F3NO2.ClH/c1-28(18-20-10-13-22-23(17-20)30-16-15-29-22)14-6-4-2-3-5-7-19-8-11-21(12-9-19)24(25,26)27;/h2-13,17H,14-16,18H2,1H3;1H/b3-2+,6-4+,7-5+;
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n/an/a 1.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophoto...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465159
PNG
(CHEMBL4278050)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20F3NO2.ClH/c1-24(14-16-6-9-18-19(13-16)26-12-11-25-18)10-2-3-15-4-7-17(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 1.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in vancomycin-intermediate Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophoto...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241288
PNG
(CHEMBL4064940)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C26H27NO.ClH/c1-27(20-22-13-16-25-10-6-18-28-26(25)19-22)17-5-7-21-11-14-24(15-12-21)23-8-3-2-4-9-23;/h2-5,7-9,11-16,19H,6,10,17-18,20H2,1H3;1H/b7-5+;
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n/an/a 1.30n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187727
PNG
(CHEMBL3827744)
Show SMILES Cl.CN(C\C=C\c1ccc(Br)cc1)Cc1ccc2CCCCc2c1
Show InChI InChI=1S/C21H24BrN.ClH/c1-23(14-4-5-17-9-12-21(22)13-10-17)16-18-8-11-19-6-2-3-7-20(19)15-18;/h4-5,8-13,15H,2-3,6-7,14,16H2,1H3;1H/b5-4+;
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n/an/a 1.30n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation after 48 hrs by spe...


J Med Chem 59: 4831-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00122
BindingDB Entry DOI: 10.7270/Q2FQ9ZKH
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465160
PNG
(CHEMBL4284707)
Show SMILES Cl.CN(C\C=C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C24H24F3NO2.ClH/c1-28(18-20-10-13-22-23(17-20)30-16-15-29-22)14-6-4-2-3-5-7-19-8-11-21(12-9-19)24(25,26)27;/h2-13,17H,14-16,18H2,1H3;1H/b3-2+,6-4+,7-5+;
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n/an/a 1.60n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247168
PNG
(CHEMBL4086008)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Show InChI InChI=1S/C25H23NO.ClH/c1-26(18-23-19-27-25-12-6-5-11-24(23)25)17-7-8-20-13-15-22(16-14-20)21-9-3-2-4-10-21;/h2-16,19H,17-18H2,1H3;1H/b8-7+;
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n/an/a 1.80n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman after 12 resistant development passages under 0.15% v/v H2O2 assessed as reduction in staphyloxant...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247168
PNG
(CHEMBL4086008)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Show InChI InChI=1S/C25H23NO.ClH/c1-26(18-23-19-27-25-12-6-5-11-24(23)25)17-7-8-20-13-15-22(16-14-20)21-9-3-2-4-10-21;/h2-16,19H,17-18H2,1H3;1H/b8-7+;
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n/an/a 1.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187728
PNG
(CHEMBL3828585)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2CCCCc2c1
Show InChI InChI=1S/C22H24F3N.ClH/c1-26(16-18-8-11-19-6-2-3-7-20(19)15-18)14-4-5-17-9-12-21(13-10-17)22(23,24)25;/h4-5,8-13,15H,2-3,6-7,14,16H2,1H3;1H/b5-4+;
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n/an/a 1.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187728
PNG
(CHEMBL3828585)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2CCCCc2c1
Show InChI InChI=1S/C22H24F3N.ClH/c1-26(16-18-8-11-19-6-2-3-7-20(19)15-18)14-4-5-17-9-12-21(13-10-17)22(23,24)25;/h4-5,8-13,15H,2-3,6-7,14,16H2,1H3;1H/b5-4+;
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n/an/a 1.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation after 48 hrs by spe...


J Med Chem 59: 4831-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00122
BindingDB Entry DOI: 10.7270/Q2FQ9ZKH
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247168
PNG
(CHEMBL4086008)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Show InChI InChI=1S/C25H23NO.ClH/c1-26(18-23-19-27-25-12-6-5-11-24(23)25)17-7-8-20-13-15-22(16-14-20)21-9-3-2-4-10-21;/h2-16,19H,17-18H2,1H3;1H/b8-7+;
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n/an/a 2n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241368
PNG
(CHEMBL4096875)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C20H20F3NO.ClH/c1-24(14-16-6-9-19-17(13-16)10-12-25-19)11-2-3-15-4-7-18(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 2.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of [3H]baclofen binding to rat gamma-aminobutyric acid type B receptor.


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241368
PNG
(CHEMBL4096875)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C20H20F3NO.ClH/c1-24(14-16-6-9-19-17(13-16)10-12-25-19)11-2-3-15-4-7-18(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 2.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Mu50 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241355
PNG
(CHEMBL4075121)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C25H25NO.ClH/c1-26(19-21-11-14-25-24(18-21)15-17-27-25)16-5-6-20-9-12-23(13-10-20)22-7-3-2-4-8-22;/h2-14,18H,15-17,19H2,1H3;1H/b6-5+;
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n/an/a 2.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2.ClH/c1-26(16-18-8-11-20-21(15-18)28-14-13-27-20)12-4-2-3-5-17-6-9-19(10-7-17)22(23,24)25;/h2-11,15H,12-14,16H2,1H3;1H/b4-2+,5-3+;
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n/an/a 2.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247338
PNG
(CHEMBL4062732)
Show SMILES Cl.CN(C\C=C\c1ccc(Br)cc1)Cc1coc2ccccc12
Show InChI InChI=1S/C19H18BrNO.ClH/c1-21(12-4-5-15-8-10-17(20)11-9-15)13-16-14-22-19-7-3-2-6-18(16)19;/h2-11,14H,12-13H2,1H3;1H/b5-4+;
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n/an/a 2.5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247169
PNG
(CHEMBL4101749)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Show InChI InChI=1S/C25H24N2.ClH/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21;/h2-17,26H,18-19H2,1H3;1H/b7-6+;
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n/an/a 2.60n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman after 12 resistant development passages under 0.15% v/v H2O2 assessed as reduction in staphyloxant...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465159
PNG
(CHEMBL4278050)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20F3NO2.ClH/c1-24(14-16-6-9-18-19(13-16)26-12-11-25-18)10-2-3-15-4-7-17(8-5-15)20(21,22)23;/h2-9,13H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 2.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241304
PNG
(CHEMBL4077944)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C28H29NO.ClH/c1-29(22-24-15-18-27-12-8-20-30-28(27)21-24)19-7-3-4-9-23-13-16-26(17-14-23)25-10-5-2-6-11-25;/h2-7,9-11,13-18,21H,8,12,19-20,22H2,1H3;1H/b7-3+,9-4+;
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n/an/a 3n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465165
PNG
(CHEMBL4288709)
Show SMILES Cl.CN(C\C=C\c1ccc(C)cc1)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H23NO2.ClH/c1-16-5-7-17(8-6-16)4-3-11-21(2)15-18-9-10-19-20(14-18)23-13-12-22-19;/h3-10,14H,11-13,15H2,1-2H3;1H/b4-3+;
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n/an/a 3.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247169
PNG
(CHEMBL4101749)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Show InChI InChI=1S/C25H24N2.ClH/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21;/h2-17,26H,18-19H2,1H3;1H/b7-6+;
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n/an/a 3.30n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241288
PNG
(CHEMBL4064940)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C26H27NO.ClH/c1-27(20-22-13-16-25-10-6-18-28-26(25)19-22)17-5-7-21-11-14-24(15-12-21)23-8-3-2-4-9-23;/h2-5,7-9,11-16,19H,6,10,17-18,20H2,1H3;1H/b7-5+;
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n/an/a 3.80n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247169
PNG
(CHEMBL4101749)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Show InChI InChI=1S/C25H24N2.ClH/c1-27(19-24-11-5-10-23-16-17-26-25(23)24)18-6-7-20-12-14-22(15-13-20)21-8-3-2-4-9-21;/h2-17,26H,18-19H2,1H3;1H/b7-6+;
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n/an/a 4n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187723
PNG
(CHEMBL3827961)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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n/an/a 4.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50465177
PNG
(CHEMBL4290446)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C25H25NO2.ClH/c1-26(19-21-11-14-24-25(18-21)28-17-16-27-24)15-5-6-20-9-12-23(13-10-20)22-7-3-2-4-8-22;/h2-14,18H,15-17,19H2,1H3;1H/b6-5+;
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n/an/a 4.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187723
PNG
(CHEMBL3827961)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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n/an/a 4.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


ACS Med Chem Lett 9: 233-237 (2018)

More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50187723
PNG
(CHEMBL3827961)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCCCc3c2)cc1
Show InChI InChI=1S/C23H29NO.ClH/c1-24(16-6-7-19-11-14-23(25-2)15-12-19)18-20-10-13-21-8-4-3-5-9-22(21)17-20;/h6-7,10-15,17H,3-5,8-9,16,18H2,1-2H3;1H/b7-6+;
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n/an/a 4.10n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of diapophytoene desaturase in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin pigment formation after 48 hrs by spe...


J Med Chem 59: 4831-48 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00122
BindingDB Entry DOI: 10.7270/Q2FQ9ZKH
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241314
PNG
(CHEMBL4072535)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)F)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C21H23F2NO.ClH/c1-24(12-2-4-16-6-10-19(11-7-16)21(22)23)15-17-8-9-18-5-3-13-25-20(18)14-17;/h2,4,6-11,14,21H,3,5,12-13,15H2,1H3;1H/b4-2+;
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n/an/a 4.5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241334
PNG
(CHEMBL4094016)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C21H22F3NO.ClH/c1-25(15-17-6-9-18-5-3-13-26-20(18)14-17)12-2-4-16-7-10-19(11-8-16)21(22,23)24;/h2,4,6-11,14H,3,5,12-13,15H2,1H3;1H/b4-2+;
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n/an/a 4.60n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241421
PNG
(CHEMBL4065307)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1F)C(F)(F)F)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C21H21F4NO.ClH/c1-26(14-15-6-7-17-5-3-11-27-20(17)12-15)10-2-4-16-8-9-18(13-19(16)22)21(23,24)25;/h2,4,6-9,12-13H,3,5,10-11,14H2,1H3;1H/b4-2+;
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n/an/a 4.70n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241273
PNG
(CHEMBL4069757)
Show SMILES Cl.CN(C\C=C\c1ccc(Br)cc1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C20H22BrNO.ClH/c1-22(12-2-4-16-7-10-19(21)11-8-16)15-17-6-9-18-5-3-13-23-20(18)14-17;/h2,4,6-11,14H,3,5,12-13,15H2,1H3;1H/b4-2+;
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n/an/a 4.80n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247173
PNG
(CHEMBL4100870)
Show SMILES Cl.CN(C\C=C\c1ccc(Cl)cc1)Cc1coc2ccccc12
Show InChI InChI=1S/C19H18ClNO.ClH/c1-21(12-4-5-15-8-10-17(20)11-9-15)13-16-14-22-19-7-3-2-6-18(16)19;/h2-11,14H,12-13H2,1H3;1H/b5-4+;
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n/an/a 4.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241278
PNG
(CHEMBL4088312)
Show SMILES Cl.CN(C\C=C\c1ccc2ccccc2c1)Cc1ccc2CCCOc2c1
Show InChI InChI=1S/C24H25NO.ClH/c1-25(18-20-11-13-22-9-5-15-26-24(22)17-20)14-4-6-19-10-12-21-7-2-3-8-23(21)16-19;/h2-4,6-8,10-13,16-17H,5,9,14-15,18H2,1H3;1H/b6-4+;
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n/an/a 5.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241397
PNG
(CHEMBL4078841)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)F)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C20H21F2NO.ClH/c1-23(14-16-6-9-19-18(13-16)10-12-24-19)11-2-3-15-4-7-17(8-5-15)20(21)22;/h2-9,13,20H,10-12,14H2,1H3;1H/b3-2+;
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n/an/a 5.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241248
PNG
(CHEMBL4102178)
Show SMILES Cl.CN(C\C=C\c1ccc2ccccc2c1)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C23H23NO.ClH/c1-24(17-19-9-11-23-22(16-19)12-14-25-23)13-4-5-18-8-10-20-6-2-3-7-21(20)15-18;/h2-11,15-16H,12-14,17H2,1H3;1H/b5-4+;
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n/an/a 5.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Binding affinity for human placental microsome cytochrome P450 19A1 with 1 uM [1-beta-3H]-androstenedione


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50177022
PNG
(CHEMBL3814424)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1cccc2ccoc12
Show InChI InChI=1S/C20H18F3NO.ClH/c1-24(14-17-6-2-5-16-11-13-25-19(16)17)12-3-4-15-7-9-18(10-8-15)20(21,22)23;/h2-11,13H,12,14H2,1H3;1H/b4-3+;
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n/an/a 5.5n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241401
PNG
(CHEMBL4102707)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1F)C(F)(F)F)Cc1ccc2OCCc2c1
Show InChI InChI=1S/C20H19F4NO.ClH/c1-25(13-14-4-7-19-16(11-14)8-10-26-19)9-2-3-15-5-6-17(12-18(15)21)20(22,23)24;/h2-7,11-12H,8-10,13H2,1H3;1H/b3-2+;
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n/an/a 5.80n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241392
PNG
(CHEMBL4103161)
Show SMILES Cl.COc1ccc(\C=C\CN(C)Cc2ccc3CCCOc3c2)c(F)c1
Show InChI InChI=1S/C21H24FNO2.ClH/c1-23(11-3-5-17-9-10-19(24-2)14-20(17)22)15-16-7-8-18-6-4-12-25-21(18)13-16;/h3,5,7-10,13-14H,4,6,11-12,15H2,1-2H3;1H/b5-3+;
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n/an/a 5.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50241285
PNG
(CHEMBL4084875)
Show SMILES Cl.COC(=O)c1ccc(\C=C\CN(C)Cc2ccc3CCCOc3c2)cc1
Show InChI InChI=1S/C22H25NO3.ClH/c1-23(16-18-9-10-19-6-4-14-26-21(19)15-18)13-3-5-17-7-11-20(12-8-17)22(24)25-2;/h3,5,7-12,15H,4,6,13-14,16H2,1-2H3;1H/b5-3+;
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n/an/a 5.90n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric analysis


J Med Chem 60: 8145-8159 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00949
BindingDB Entry DOI: 10.7270/Q2445PNX
More data for this
Ligand-Target Pair
Dehydrosqualene desaturase


(Staphylococcus aureus (strain Newman))
BDBM50247237
PNG
(CHEMBL4087908)
Show SMILES Cl.CN(C\C=C\c1ccc(Cl)cc1Cl)Cc1coc2ccccc12
Show InChI InChI=1S/C19H17Cl2NO.ClH/c1-22(10-4-5-14-8-9-16(20)11-18(14)21)12-15-13-23-19-7-3-2-6-17(15)19;/h2-9,11,13H,10,12H2,1H3;1H/b5-4+;
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n/an/a 6.20n/an/an/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Inhibition of CrtN in Staphylococcus aureus Newman assessed as reduction in staphyloxanthin levels after 48 hrs by spectrophotometric method-based pi...


J Med Chem 61: 224-250 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01300
More data for this
Ligand-Target Pair
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