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PubMed code 1310116

Compile data set for download or QSAR
Found 8 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 topoisomerase II


(Homo sapiens)
BDBM50229974
PNG
(CHEMBL178077)
Show SMILES OC(=O)c1c2scc3COc4c(N5CCNCC5)c(F)cc(c4n23)c1=O
Show InChI InChI=1S/C17H14FN3O4S/c18-10-5-9-12-15(13(10)20-3-1-19-2-4-20)25-6-8-7-26-16(21(8)12)11(14(9)22)17(23)24/h5,7,19H,1-4,6H2,(H,23,24)
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Article
PubMed
n/an/a 0.170n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
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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CHEMBL
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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 0.200n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229967
PNG
(CHEMBL263944)
Show SMILES NC1CCN(C1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C17H14FN3O4S/c18-10-3-9-12-15(13(10)20-2-1-7(19)4-20)25-5-8-6-26-16(21(8)12)11(14(9)22)17(23)24/h3,6-7H,1-2,4-5,19H2,(H,23,24)
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Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229970
PNG
(CHEMBL367876)
Show SMILES CC1CN(CCN1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C18H16FN3O4S/c1-8-5-21(3-2-20-8)14-11(19)4-10-13-16(14)26-6-9-7-27-17(22(9)13)12(15(10)23)18(24)25/h4,7-8,20H,2-3,5-6H2,1H3,(H,24,25)
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Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229969
PNG
(CHEMBL554645)
Show SMILES Cl.CN1CCN(CC1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C18H16FN3O4S.ClH/c1-20-2-4-21(5-3-20)14-11(19)6-10-13-16(14)26-7-9-8-27-17(22(9)13)12(15(10)23)18(24)25;/h6,8H,2-5,7H2,1H3,(H,24,25);1H
PDB

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Article
PubMed
n/an/a 0.310n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229972
PNG
(CHEMBL174721)
Show SMILES OC1CCN(C1)c1c(F)cc2c3c1OCc1csc(c(C(O)=O)c2=O)n31
Show InChI InChI=1S/C17H13FN2O5S/c18-10-3-9-12-15(13(10)19-2-1-8(21)4-19)25-5-7-6-26-16(20(7)12)11(14(9)22)17(23)24/h3,6,8,21H,1-2,4-5H2,(H,23,24)
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Article
PubMed
n/an/a 0.350n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229966
PNG
(DESMETHYL-OFLOXACIN | Desmethyl-Ofloxacin (5%))
Show SMILES CC1COc2c(N3CCNCC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C17H18FN3O4/c1-9-8-25-16-13-10(15(22)11(17(23)24)7-21(9)13)6-12(18)14(16)20-4-2-19-3-5-20/h6-7,9,19H,2-5,8H2,1H3,(H,23,24)
PDB

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Article
PubMed
n/an/a 0.590n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
DNA topoisomerase II


(Homo sapiens)
BDBM50229965
PNG
(CHEMBL174892)
Show SMILES OC(=O)c1c2scc3COc4c(N5CCCC5)c(F)cc(c4n23)c1=O
Show InChI InChI=1S/C17H13FN2O4S/c18-10-5-9-12-15(13(10)19-3-1-2-4-19)24-6-8-7-25-16(20(8)12)11(14(9)21)17(22)23/h5,7H,1-4,6H2,(H,22,23)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.930n/an/an/an/an/an/a



Kanebo Ltd.

Curated by ChEMBL


Assay Description
The inhibitory activity was measured for the supercoiling activity of DNA gyrase isolated from Escherichia coli K-12 C600.


J Med Chem 35: 94-9 (1992)


Article DOI: 10.1021/jm00079a011
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%