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Compile Data Set for Download or QSAR

Found 11 hits of ic50 data for polymerid = 50007441   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
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+;
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.40n/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 USA400 MW2 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
BindingDB Entry DOI: 10.7270/Q289189X
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
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/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/b3-2+,6-4+,7-5+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.70n/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...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
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/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/b3-2+,6-4+,7-5+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.30n/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 USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2/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/b4-2+,5-3+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50465159
PNG
(CHEMBL4278050)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20F3NO2/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/b3-2+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
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 methicillin-resistant Staphylococcus aureus LAC USA300 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50465159
PNG
(CHEMBL4278050)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C20H20F3NO2/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/b3-2+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/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 USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50465164
PNG
(CHEMBL4288408)
Show SMILES Cl.CN(C\C=C\C=C\c1ccc(cc1)C(F)(F)F)Cc1ccc2OCCOc2c1
Show InChI InChI=1S/C22H22F3NO2/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/b4-2+,5-3+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.5n/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 USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
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+;
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.10n/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 USA400 MW2 assessed as reduction in staphyloxanthin levels after 48 hrs by spectrop...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
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+;
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 7.70n/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...


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


Article DOI: 10.1021/acsmedchemlett.7b00501
BindingDB Entry DOI: 10.7270/Q2V127GN
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50247168
PNG
(CHEMBL4086008)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1coc2ccccc12
Show InChI InChI=1S/C25H23NO/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/b8-7+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 7.90n/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 USA400 MW2 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
BindingDB Entry DOI: 10.7270/Q289189X
More data for this
Ligand-Target Pair
4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)


(Staphylococcus aureus (strain MW2))
BDBM50247169
PNG
(CHEMBL4101749)
Show SMILES Cl.CN(C\C=C\c1ccc(cc1)-c1ccccc1)Cc1cccc2cc[nH]c12
Show InChI InChI=1S/C25H24N2/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/b7-6+
UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8n/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 USA400 MW2 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
BindingDB Entry DOI: 10.7270/Q289189X
More data for this
Ligand-Target Pair