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PubMed code 19477652

Compile data set for download or QSAR
Found 18 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
DnaC helicase


(Staphylococcus aureus)
BDBM50295892
PNG
((Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-3-(4-ni...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(cc2)[N+]([O-])=O)cc(OC)c1O
Show InChI InChI=1S/C18H14N2O6S2/c1-25-13-7-10(8-14(26-2)16(13)21)9-15-17(22)19(18(27)28-15)11-3-5-12(6-4-11)20(23)24/h3-9,21H,1-2H3/b15-9-
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n/an/a 700n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295893
PNG
((Z)-3-(4-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxyb...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2ccc(Cl)cc2)cc(OC)c1O
Show InChI InChI=1S/C18H14ClNO4S2/c1-23-13-7-10(8-14(24-2)16(13)21)9-15-17(22)20(18(25)26-15)12-5-3-11(19)4-6-12/h3-9,21H,1-2H3/b15-9-
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n/an/a 2.00E+3n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295894
PNG
((Z)-3-(3-chlorophenyl)-5-(4-hydroxy-3,5-dimethoxyb...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(Cl)c2)cc(OC)c1O
Show InChI InChI=1S/C18H14ClNO4S2/c1-23-13-6-10(7-14(24-2)16(13)21)8-15-17(22)20(18(25)26-15)12-5-3-4-11(19)9-12/h3-9,21H,1-2H3/b15-8-
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n/an/a 3.00E+3n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM11994
PNG
(2-{[4-(2,5-dimethyl-1H-pyrrol-1-yl)phenyl]sulfanyl...)
Show SMILES Cc1ccc(C)n1-c1ccc(SCC(O)=O)cc1
Show InChI InChI=1S/C14H15NO2S/c1-10-3-4-11(2)15(10)12-5-7-13(8-6-12)18-9-14(16)17/h3-8H,9H2,1-2H3,(H,16,17)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM11985
PNG
(4-(2,5-dimethyl-1H-pyrrol-1-yl)-2-hydroxybenzoic a...)
Show SMILES Cc1ccc(C)n1-c1ccc(C(O)=O)c(O)c1
Show InChI InChI=1S/C13H13NO3/c1-8-3-4-9(2)14(8)10-5-6-11(13(16)17)12(15)7-10/h3-7,15H,1-2H3,(H,16,17)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295891
PNG
((Z)-5-(4-hydroxy-3,5-dimethoxybenzylidene)-2-thiox...)
Show SMILES COc1cc(\C=C2/SC(=S)N(C2=O)c2cccc(c2)C(F)(F)F)cc(OC)c1O
Show InChI InChI=1S/C19H14F3NO4S2/c1-26-13-6-10(7-14(27-2)16(13)24)8-15-17(25)23(18(28)29-15)12-5-3-4-11(9-12)19(20,21)22/h3-9,24H,1-2H3/b15-8-
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n/an/a 4.00E+3n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295886
PNG
(4-(2-methylthiazol-4-yl)-1H-pyrrole-2-carboxylic a...)
Show SMILES Cc1nc(cs1)-c1c[nH]c(c1)C(O)=O
Show InChI InChI=1S/C9H8N2O2S/c1-5-11-8(4-14-5)6-2-7(9(12)13)10-3-6/h2-4,10H,1H3,(H,12,13)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295897
PNG
(6,7-dihydroxy-4-((1-methyl-1H-benzo[d]imidazol-2-y...)
Show SMILES Cn1c(SCc2cc(=O)oc3cc(O)c(O)cc23)nc2ccccc12
Show InChI InChI=1S/C18H14N2O4S/c1-20-13-5-3-2-4-12(13)19-18(20)25-9-10-6-17(23)24-16-8-15(22)14(21)7-11(10)16/h2-8,21-22H,9H2,1H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295898
PNG
(4-((4-amino-5-(2-fluorobenzyl)-4H-1,2,4-triazol-3-...)
Show SMILES Nn1c(Cc2ccccc2F)nnc1SCc1cc(=O)oc2cc(O)c(O)cc12
Show InChI InChI=1S/C19H15FN4O4S/c20-13-4-2-1-3-10(13)5-17-22-23-19(24(17)21)29-9-11-6-18(27)28-16-8-15(26)14(25)7-12(11)16/h1-4,6-8,25-26H,5,9,21H2
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n/an/a 1.50E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295895
PNG
(3,4,5-trimethoxy-N-(6-(morpholinosulfonyl)benzo[d]...)
Show SMILES COc1cc(cc(OC)c1OC)C(=O)Nc1nc2ccc(cc2s1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C21H23N3O7S2/c1-28-16-10-13(11-17(29-2)19(16)30-3)20(25)23-21-22-15-5-4-14(12-18(15)32-21)33(26,27)24-6-8-31-9-7-24/h4-5,10-12H,6-9H2,1-3H3,(H,22,23,25)
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n/an/a 1.50E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295889
PNG
(6-(benzofuran-2-yl)-N2-(4-methoxyphenyl)-1,3,5-tri...)
Show SMILES COc1ccc(Nc2nc(N)nc(n2)-c2cc3ccccc3o2)cc1
Show InChI InChI=1S/C18H15N5O2/c1-24-13-8-6-12(7-9-13)20-18-22-16(21-17(19)23-18)15-10-11-4-2-3-5-14(11)25-15/h2-10H,1H3,(H3,19,20,21,22,23)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM34851
PNG
(3-benzyl-7,8-dihydroxy-4-methyl-2H-chromen-2-one |...)
Show SMILES Cc1c(Cc2ccccc2)c(=O)oc2c(O)c(O)ccc12
Show InChI InChI=1S/C17H14O4/c1-10-12-7-8-14(18)15(19)16(12)21-17(20)13(10)9-11-5-3-2-4-6-11/h2-8,18-19H,9H2,1H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295890
PNG
(CHEMBL558246 | N-(4-(N-(3,4-dimethylisoxazol-5-yl)...)
Show SMILES Cc1noc(NS(=O)(=O)c2ccc(NC(=O)CSc3nnc(-c4ccccc4)c(n3)-c3ccccc3)cc2)c1C
Show InChI InChI=1S/C28H24N6O4S2/c1-18-19(2)33-38-27(18)34-40(36,37)23-15-13-22(14-16-23)29-24(35)17-39-28-30-25(20-9-5-3-6-10-20)26(31-32-28)21-11-7-4-8-12-21/h3-16,34H,17H2,1-2H3,(H,29,35)
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n/an/a 4.70E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295896
PNG
(2-ethoxy-N-(6-sulfamoylbenzo[d]thiazol-2-yl)benzam...)
Show SMILES CCOc1ccccc1C(=O)Nc1nc2ccc(cc2s1)S(N)(=O)=O
Show InChI InChI=1S/C16H15N3O4S2/c1-2-23-13-6-4-3-5-11(13)15(20)19-16-18-12-8-7-10(25(17,21)22)9-14(12)24-16/h3-9H,2H2,1H3,(H2,17,21,22)(H,18,19,20)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295899
PNG
(3-(4,8-dimethyl-7-(naphthalen-1-ylmethoxy)-2-oxo-2...)
Show SMILES Cc1c(OCc2cccc3ccccc23)ccc2c(C)c(CCC(O)=O)c(=O)oc12
Show InChI InChI=1S/C25H22O5/c1-15-19-10-12-22(16(2)24(19)30-25(28)20(15)11-13-23(26)27)29-14-18-8-5-7-17-6-3-4-9-21(17)18/h3-10,12H,11,13-14H2,1-2H3,(H,26,27)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295888
PNG
(2-(5-(5-mercapto-1,3,4-oxadiazol-2-yl)furan-2-yl)b...)
Show SMILES Oc1ccc(O)c(c1)-c1ccc(o1)-c1nnc(S)o1
Show InChI InChI=1S/C12H8N2O4S/c15-6-1-2-8(16)7(5-6)9-3-4-10(17-9)11-13-14-12(19)18-11/h1-5,15-16H,(H,14,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295887
PNG
(6-ethyl-9-mercapto-6-methyl-5,6-dihydrobenzo[h][1,...)
Show SMILES CCC1(C)Cc2ccccc2-c2nc3[nH][nH]c(=S)n3c(=O)c12
Show InChI InChI=1S/C16H16N4OS/c1-3-16(2)8-9-6-4-5-7-10(9)12-11(16)13(21)20-14(17-12)18-19-15(20)22/h4-7H,3,8H2,1-2H3,(H,17,18)(H,19,22)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
DnaC helicase


(Staphylococcus aureus)
BDBM50295900
PNG
(3-(7-(4-bromo-2-fluorobenzyloxy)-4,8-dimethyl-2-ox...)
Show SMILES Cc1c(CCC(O)=O)c(=O)oc2c(C)c(OCc3ccc(Br)cc3F)ccc12
Show InChI InChI=1S/C21H18BrFO5/c1-11-15-5-7-18(27-10-13-3-4-14(22)9-17(13)23)12(2)20(15)28-21(26)16(11)6-8-19(24)25/h3-5,7,9H,6,8,10H2,1-2H3,(H,24,25)
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n/an/a 1.80E+5n/an/an/an/an/an/a



Microbiotix, Inc

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus Smith DNA helicase DnaC assessed as strand unwinding after 30 mins by FRET assay


Bioorg Med Chem 17: 4466-76 (2009)


Article DOI: 10.1016/j.bmc.2009.05.014
BindingDB Entry DOI: 10.7270/Q22F7NGH
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%