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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A' and Ligand = 'BDBM139388'   
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


(Escherichia coli (strain K12))
BDBM139388
PNG
(US8889671, 17 | US8889671, 67)
Show SMILES COC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r|
Show InChI InChI=1S/C23H24FN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)36-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-12(7-34-3)8-35-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 140n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...


US Patent US8889671 (2014)


BindingDB Entry DOI: 10.7270/Q22J69JX
More data for this
Ligand-Target Pair
DNA gyrase subunit A


(Escherichia coli (strain K12))
BDBM139388
PNG
(US8889671, 17 | US8889671, 67)
Show SMILES COC[C@H]1COC(=O)N1c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r|
Show InChI InChI=1S/C23H24FN5O8/c1-9-6-28-15-11(5-23(17(28)10(2)36-9)19(30)25-21(32)26-20(23)31)4-13-16(14(15)24)37-27-18(13)29-12(7-34-3)8-35-22(29)33/h4,9-10,12,17H,5-8H2,1-3H3,(H2,25,26,30,31,32)/t9-,10+,12+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 330n/an/an/an/a7.5n/a



AstraZeneca AB

US Patent


Assay Description
In a black, 384-well polystyrene assay plate, 30 microliters/well of 5 nM Escherichia coli DNA gyrase A/B tetramer and 130 micrograms/mL of topologic...


US Patent US8889671 (2014)


BindingDB Entry DOI: 10.7270/Q22J69JX
More data for this
Ligand-Target Pair