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PubMed code 25238443

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
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Article
PubMed
n/an/a 200n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM21691
PNG
(1-ethyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridi...)
Show SMILES CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12
Show InChI InChI=1S/C12H12N2O3/c1-3-14-6-9(12(16)17)10(15)8-5-4-7(2)13-11(8)14/h4-6H,3H2,1-2H3,(H,16,17)
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Article
PubMed
n/an/a 1.00E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027668
PNG
(CHEMBL3357531)
Show SMILES CC1(C)C2CC1C(\C=C\C(=O)c1ccc(O)cc1O)=CC2
Show InChI InChI=1S/C18H20O3/c1-18(2)12-5-3-11(15(18)9-12)4-8-16(20)14-7-6-13(19)10-17(14)21/h3-4,6-8,10,12,15,19,21H,5,9H2,1-2H3/b8-4+
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PubMed
n/an/a 2.50E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027673
PNG
(OLYMPICIN A | Olympicin A)
Show SMILES CC[C@H](C)C(=O)c1c(O)cc(O)cc1OC\C=C(/C)CCC=C(C)C
Show InChI InChI=1S/C21H30O4/c1-6-16(5)21(24)20-18(23)12-17(22)13-19(20)25-11-10-15(4)9-7-8-14(2)3/h8,10,12-13,16,22-23H,6-7,9,11H2,1-5H3/b15-10+/t16-/m0/s1
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PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027665
PNG
((E)-1-(2,4-dihydroxyphenyl)-3-(2-allyloxyphenyl)-2...)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccccc2OCC=C)c(O)c1
Show InChI InChI=1S/C18H16O4/c1-2-11-22-18-6-4-3-5-13(18)7-10-16(20)15-9-8-14(19)12-17(15)21/h2-10,12,19,21H,1,11H2/b10-7+
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PubMed
n/an/a 5.00E+5n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027669
PNG
(CHEMBL3357528)
Show SMILES CCCCCCCCOc1ccccc1C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C23H28O4/c1-2-3-4-5-6-9-14-26-21-11-8-7-10-19(21)23-16-20(25)18-13-12-17(24)15-22(18)27-23/h7-8,10-13,15,23-24H,2-6,9,14,16H2,1H3
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027666
PNG
(CHEMBL3357535)
Show SMILES CCCCCCOc1ccccc1\C=C\C(=O)c1ccc(O)cc1O
Show InChI InChI=1S/C21H24O4/c1-2-3-4-7-14-25-21-9-6-5-8-16(21)10-13-19(23)18-12-11-17(22)15-20(18)24/h5-6,8-13,15,22,24H,2-4,7,14H2,1H3/b13-10+
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027672
PNG
(CHEMBL3357489)
Show SMILES CCCCCCCCOc1cc(O)cc(O)c1C(=O)C(C)CC
Show InChI InChI=1S/C19H30O4/c1-4-6-7-8-9-10-11-23-17-13-15(20)12-16(21)18(17)19(22)14(3)5-2/h12-14,20-21H,4-11H2,1-3H3
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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027670
PNG
(CHEMBL3357527)
Show SMILES CCCCCCOc1ccccc1C1CC(=O)c2ccc(O)cc2O1
Show InChI InChI=1S/C21H24O4/c1-2-3-4-7-12-24-19-9-6-5-8-17(19)21-14-18(23)16-11-10-15(22)13-20(16)25-21/h5-6,8-11,13,21-22H,2-4,7,12,14H2,1H3
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027667
PNG
(CHEMBL3357537)
Show SMILES Oc1ccc(C(=O)\C=C\c2ccc(cc2)N2CCCCC2)c(O)c1
Show InChI InChI=1S/C20H21NO3/c22-17-9-10-18(20(24)14-17)19(23)11-6-15-4-7-16(8-5-15)21-12-2-1-3-13-21/h4-11,14,22,24H,1-3,12-13H2/b11-6+
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM50027671
PNG
(CHEMBL3357510)
Show SMILES CCCCCCCC1CC(=O)c2c(O)cc(O)cc2O1
Show InChI InChI=1S/C16H22O4/c1-2-3-4-5-6-7-12-10-14(19)16-13(18)8-11(17)9-15(16)20-12/h8-9,12,17-18H,2-7,10H2,1H3
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Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



University of Hawai'i at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase assessed as supercoiled plasmid DNA formation after 30 mins by electrophoretic analysis


J Med Chem 57: 8398-420 (2014)


Article DOI: 10.1021/jm500853v
BindingDB Entry DOI: 10.7270/Q25M679K
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%