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BDBM139447 US8889671, 61::US8889671, 63

SMILES: C[C@@H]1CN2C([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ncccn2)C(=O)NC(=O)NC1=O

InChI Key: InChIKey=XNHIBFIYRMMRCU-KISLSHQNSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 139447   
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 A


(Escherichia coli (strain K12))
BDBM139447
PNG
(US8889671, 61 | US8889671, 63)
Show SMILES C[C@@H]1CN2C([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ncccn2)C(=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C25H22FN7O7/c1-10-8-32-16-12(7-25(18(32)11(2)39-10)21(34)29-23(36)30-22(25)35)6-13-17(15(16)26)40-31-20(13)33-14(9-38-24(33)37)19-27-4-3-5-28-19/h3-6,10-11,14,18H,7-9H2,1-2H3,(H2,29,30,34,35,36)/t10-,11+,14+,18?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 380n/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))
BDBM139447
PNG
(US8889671, 61 | US8889671, 63)
Show SMILES C[C@@H]1CN2C([C@H](C)O1)C1(Cc3cc4c(noc4c(F)c23)N2[C@@H](COC2=O)c2ncccn2)C(=O)NC(=O)NC1=O |r|
Show InChI InChI=1S/C25H22FN7O7/c1-10-8-32-16-12(7-25(18(32)11(2)39-10)21(34)29-23(36)30-22(25)35)6-13-17(15(16)26)40-31-20(13)33-14(9-38-24(33)37)19-27-4-3-5-28-19/h3-6,10-11,14,18H,7-9H2,1-2H3,(H2,29,30,34,35,36)/t10-,11+,14+,18?/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 340n/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