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Compile Data Set for Download or QSAR

Found 6 hits of ic50 for UniProtKB: P66936   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50475221
PNG
(CHEMBL187677)
Show SMILES O.O.O.O.N[C@@H](CCCNC(N)=N)C(O)=O.C[C@H]1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O |r|
Show InChI InChI=1S/C19H21FN2O4.C6H14N4O2.4H2O/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21;7-4(5(11)12)2-1-3-10-6(8)9;;;;/h8-11,23H,2-7H2,1H3,(H,25,26);4H,1-3,7H2,(H,11,12)(H4,8,9,10);4*1H2/t10-;4-;;;;/m00..../s1
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Article
PubMed
n/an/a 8.24E+3n/an/an/an/an/an/a



Wockhardt Limited

Curated by ChEMBL


Assay Description
Inhibition of supercoiling activity of DNA gyrase from Staphylococcus aureus ISP 794; Range = 2.5-5 ug/mL


J Med Chem 48: 5232-42 (2005)


Article DOI: 10.1021/jm050035f
BindingDB Entry DOI: 10.7270/Q2K0771W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50475222
PNG
(CHEBI:31889 | Nadifloxacin | OPC 7251 | OPC-7251)
Show SMILES CC1CCc2c(N3CCC(O)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O
Show InChI InChI=1S/C19H21FN2O4/c1-10-2-3-12-16-13(18(24)14(19(25)26)9-22(10)16)8-15(20)17(12)21-6-4-11(23)5-7-21/h8-11,23H,2-7H2,1H3,(H,25,26)
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.77E+4n/an/an/an/an/an/a



Wockhardt Limited

Curated by ChEMBL


Assay Description
Inhibition of supercoiling activity of DNA gyrase from Staphylococcus aureus ISP 794


J Med Chem 48: 5232-42 (2005)


Article DOI: 10.1021/jm050035f
BindingDB Entry DOI: 10.7270/Q2K0771W
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
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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MCE
KEGG
MMDB
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PDB
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Article
PubMed
n/an/a 6.03E+4n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA gyrase of Staphylococcus aureus


J Med Chem 48: 3194-202 (2005)


Article DOI: 10.1021/jm0402061
BindingDB Entry DOI: 10.7270/Q2W95CXB
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50247892
PNG
(AM-833 | CHEBI:31810 | Fleroxacin | Megalone | Ro-...)
Show SMILES CN1CCN(CC1)c1c(F)cc2c(c1F)n(CCF)cc(C(O)=O)c2=O
Show InChI InChI=1S/C17H18F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h8-9H,2-7H2,1H3,(H,25,26)
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KEGG
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PubMed
n/an/a 1.86E+5n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA gyrase of Staphylococcus aureus


J Med Chem 48: 3194-202 (2005)


Article DOI: 10.1021/jm0402061
BindingDB Entry DOI: 10.7270/Q2W95CXB
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50475385
PNG
(CHEMBL192226)
Show SMILES CN1CCN(CC1)c1c(F)cc2c(c1F)n(\C=C/F)cc(C(O)=O)c2=O
Show InChI InChI=1S/C17H16F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h2-3,8-9H,4-7H2,1H3,(H,25,26)/b3-2-
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n/an/a 1.96E+5n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA gyrase of Staphylococcus aureus


J Med Chem 48: 3194-202 (2005)


Article DOI: 10.1021/jm0402061
BindingDB Entry DOI: 10.7270/Q2W95CXB
More data for this
Ligand-Target Pair
DNA gyrase subunit B


(Staphylococcus aureus subsp. aureus Mu50)
BDBM50475384
PNG
(CHEMBL371124)
Show SMILES CN1CCN(CC1)c1c(F)cc2c(c1F)n(\C=C\F)cc(C(O)=O)c2=O
Show InChI InChI=1S/C17H16F3N3O3/c1-21-4-6-22(7-5-21)15-12(19)8-10-14(13(15)20)23(3-2-18)9-11(16(10)24)17(25)26/h2-3,8-9H,4-7H2,1H3,(H,25,26)/b3-2+
PDB

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n/an/a 1.80E+6n/an/an/an/an/an/a



Kyorin Pharmaceutical Co. Ltd.

Curated by ChEMBL


Assay Description
Inhibitory concentration against DNA gyrase of Staphylococcus aureus


J Med Chem 48: 3194-202 (2005)


Article DOI: 10.1021/jm0402061
BindingDB Entry DOI: 10.7270/Q2W95CXB
More data for this
Ligand-Target Pair