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PubMed code 9871636

Compile data set for download or QSAR
Found 17 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 subunit A/B


(Escherichia coli (strain K12))		BDBM50045004
PNG
(9-fluoro-3-methyl-10-(4-methylpiperazin-1-yl)-7-ox...)
Show SMILES CC1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
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n/an/a 4.98E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215357
PNG
(CHEMBL6353)
Show SMILES ONC1c2cc(O)c(O)cc2-c2cc(O)c(O)cc12
Show InChI InChI=1S/C13H11NO5/c15-9-1-5-6-2-10(16)12(18)4-8(6)13(14-19)7(5)3-11(9)17/h1-4,13-19H
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n/an/a 7.65E+3n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215365
PNG
(CHEMBL6345)
Show SMILES Oc1cc2C(=O)c3cc(O)c(O)cc3-c2cc1O
Show InChI InChI=1S/C13H8O5/c14-9-1-5-6-2-10(15)12(17)4-8(6)13(18)7(5)3-11(9)16/h1-4,14-17H
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n/an/a 5.32E+4n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215546
PNG
(CHEMBL268770)
Show SMILES Oc1cc2c3ccc(F)c(F)c3oc(=O)c2cc1O
Show InChI InChI=1S/C13H6F2O4/c14-8-2-1-5-6-3-9(16)10(17)4-7(6)13(18)19-12(5)11(8)15/h1-4,16-17H
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n/an/a 1.51E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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n/an/a 1.55E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(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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n/an/a 2.23E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215360
PNG
(CHEMBL266458)
Show SMILES Oc1cc2oc(=O)c3cc(O)c(O)cc3c2cc1O
Show InChI InChI=1S/C13H8O6/c14-8-1-5-6-2-9(15)11(17)4-12(6)19-13(18)7(5)3-10(8)16/h1-4,14-17H
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n/an/a 3.07E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215358
PNG
(CHEMBL204146)
Show SMILES Oc1ccc2c3ccc(O)c(O)c3oc(=O)c2c1
Show InChI InChI=1S/C13H8O5/c14-6-1-2-7-8-3-4-10(15)11(16)12(8)18-13(17)9(7)5-6/h1-5,14-16H
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n/an/a 3.27E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215366
PNG
(CHEMBL263076)
Show SMILES Oc1ccc2c(oc(=O)c3ccc(F)cc23)c1O
Show InChI InChI=1S/C13H7FO4/c14-6-1-2-8-9(5-6)7-3-4-10(15)11(16)12(7)18-13(8)17/h1-5,15-16H
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n/an/a 4.46E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215545
PNG
(CHEMBL6338)
Show SMILES Oc1ccc2c3cc(O)c(O)cc3c(=O)oc2c1O
Show InChI InChI=1S/C13H8O6/c14-8-2-1-5-6-3-9(15)10(16)4-7(6)13(18)19-12(5)11(8)17/h1-4,14-17H
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n/an/a 4.99E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215356
PNG
(CHEMBL6247)
Show SMILES Cc1cc(O)c(O)c2oc(=O)c3cc(O)c(O)cc3c12
Show InChI InChI=1S/C14H10O6/c1-5-2-10(17)12(18)13-11(5)6-3-8(15)9(16)4-7(6)14(19)20-13/h2-4,15-18H,1H3
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n/an/a 5.10E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215364
PNG
(CHEMBL6335)
Show SMILES Oc1cc2c3ccc(Cl)c(Cl)c3oc(=O)c2cc1O
Show InChI InChI=1S/C13H6Cl2O4/c14-8-2-1-5-6-3-9(16)10(17)4-7(6)13(18)19-12(5)11(8)15/h1-4,16-17H
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n/an/a 9.42E+5n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215361
PNG
(CHEMBL6349)
Show SMILES Oc1cc2oc(=O)c3ccc(F)cc3c2cc1O
Show InChI InChI=1S/C13H7FO4/c14-6-1-2-7-8(3-6)9-4-10(15)11(16)5-12(9)18-13(7)17/h1-5,15-16H
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n/an/a 1.50E+6n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215362
PNG
(CHEMBL6336)
Show SMILES Cc1cc(O)c(O)c2oc(=O)c3ccc(F)cc3c12
Show InChI InChI=1S/C14H9FO4/c1-6-4-10(16)12(17)13-11(6)9-5-7(15)2-3-8(9)14(18)19-13/h2-5,16-17H,1H3
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n/an/a>1.92E+6n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215363
PNG
(CHEMBL6365)
Show SMILES Oc1cc2c3ccccc3oc(=O)c2cc1O
Show InChI InChI=1S/C13H8O4/c14-10-5-8-7-3-1-2-4-12(7)17-13(16)9(8)6-11(10)15/h1-6,14-15H
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n/an/a>2.19E+6n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215359
PNG
(CHEMBL6364)
Show SMILES Oc1ccc2c3ccccc3c(=O)oc2c1O
Show InChI InChI=1S/C13H8O4/c14-10-6-5-8-7-3-1-2-4-9(7)13(16)17-12(8)11(10)15/h1-6,14-15H
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n/an/a>2.19E+6n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Escherichia coli (strain K12))		BDBM50215547
PNG
(Benzo[C]Chromen-6-One | CHEBI:86511 | CHEMBL6355)
Show SMILES O=c1oc2ccccc2c2ccccc12
Show InChI InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H
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n/an/a>2.54E+6n/an/an/an/an/an/a



R.W. Johnson Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of DNA gyrase supercoiling in Escherichia coli.

Bioorg Med Chem Lett 8: 97-100 (1998)


BindingDB Entry DOI: 10.7270/Q25141DT
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%