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BDBM159943 US9040528, 93::US9040528, 93(b)

SMILES: C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)F)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=OHJASJJMGQDYNR-FHZAEYJHSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 159943   
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


(Escherichia coli (strain K12))
BDBM159943
PNG
(US9040528, 93 | US9040528, 93(b))
Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)F)C(=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C19H17F3N4O5/c1-6-5-26-12-8(3-9-11(15(21)22)25-31-13(9)10(12)20)4-19(14(26)7(2)30-6)16(27)23-18(29)24-17(19)28/h3,6-7,14-15H,4-5H2,1-2H3,(H2,23,24,27,28,29)/t6-,7+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 700n/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 US9040528 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QG0
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM159943
PNG
(US9040528, 93 | US9040528, 93(b))
Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)F)C(=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C19H17F3N4O5/c1-6-5-26-12-8(3-9-11(15(21)22)25-31-13(9)10(12)20)4-19(14(26)7(2)30-6)16(27)23-18(29)24-17(19)28/h3,6-7,14-15H,4-5H2,1-2H3,(H2,23,24,27,28,29)/t6-,7+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 480n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli DNA gyrase using fluorescence-tagged DNA by fluorescenct polarization assay


J Med Chem 57: 9078-95 (2014)


BindingDB Entry DOI: 10.7270/Q2F76FB6
More data for this
Ligand-Target Pair
DNA Gyrase


(Escherichia coli (strain K12))
BDBM159943
PNG
(US9040528, 93 | US9040528, 93(b))
Show SMILES C[C@@H]1CN2[C@H]([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)C(F)F)C(=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C19H17F3N4O5/c1-6-5-26-12-8(3-9-11(15(21)22)25-31-13(9)10(12)20)4-19(14(26)7(2)30-6)16(27)23-18(29)24-17(19)28/h3,6-7,14-15H,4-5H2,1-2H3,(H2,23,24,27,28,29)/t6-,7+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 400n/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 US9040528 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QG0
More data for this
Ligand-Target Pair