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PubMed code 26949507

Compile data set for download or QSAR
Found 4 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


(Staphylococcus aureus)		BDBM50134735
PNG
(CHEMBL531018 | GNF-Pf-2870 | SJ000111341 | TCMDC-1...)
Show SMILES Nc1ccc(cc1)-c1nc2cc(ccc2[nH]1)-c1ccc2[nH]c(nc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C26H20N6/c27-19-7-1-15(2-8-19)25-29-21-11-5-17(13-23(21)31-25)18-6-12-22-24(14-18)32-26(30-22)16-3-9-20(28)10-4-16/h1-14H,27-28H2,(H,29,31)(H,30,32)
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PC cid
PC sid
UniChem
PubMed
n/an/a 300n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30...

Medchemcomm 6: 1420-1426 (2016)


BindingDB Entry DOI: 10.7270/Q2CC12HR
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50134758
PNG
(CHEMBL3753934)
Show SMILES Cc1ccc(cc1)-c1nc2ccc(cc2[nH]1)-c1ccc2nc([nH]c2c1)-c1ccc(C)cc1
Show InChI InChI=1S/C28H22N4/c1-17-3-7-19(8-4-17)27-29-23-13-11-21(15-25(23)31-27)22-12-14-24-26(16-22)32-28(30-24)20-9-5-18(2)6-10-20/h3-16H,1-2H3,(H,29,31)(H,30,32)
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PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30...

Medchemcomm 6: 1420-1426 (2016)


BindingDB Entry DOI: 10.7270/Q2CC12HR
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50134757
PNG
(CHEMBL3752020)
Show SMILES COc1cccc(c1)-c1nc2ccc(cc2[nH]1)-c1ccc2nc([nH]c2c1)-c1cccc(OC)c1
Show InChI InChI=1S/C28H22N4O2/c1-33-21-7-3-5-19(13-21)27-29-23-11-9-17(15-25(23)31-27)18-10-12-24-26(16-18)32-28(30-24)20-6-4-8-22(14-20)34-2/h3-16H,1-2H3,(H,29,31)(H,30,32)
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PubMed
n/an/a 8.80E+3n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30...

Medchemcomm 6: 1420-1426 (2016)


BindingDB Entry DOI: 10.7270/Q2CC12HR
More data for this
Ligand-Target Pair
DNA gyrase subunit A/B


(Staphylococcus aureus)		BDBM50134759
PNG
(CHEMBL3753858)
Show SMILES c1cc(ccn1)-c1nc2ccc(cc2[nH]1)-c1ccc2nc([nH]c2c1)-c1ccncc1
Show InChI InChI=1S/C24H16N6/c1-3-19-21(29-23(27-19)15-5-9-25-10-6-15)13-17(1)18-2-4-20-22(14-18)30-24(28-20)16-7-11-26-12-8-16/h1-14H,(H,27,29)(H,28,30)
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus DNA gyrase assessed as reduction in enzyme-catalyzed supercoiling of relaxed circular pBR322 DNA incubated for 30...

Medchemcomm 6: 1420-1426 (2016)


BindingDB Entry DOI: 10.7270/Q2CC12HR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%