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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'DNA gyrase subunit A' and Ligand = 'BDBM139440'   
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))
BDBM139440
PNG
(US8889671, 78)
Show SMILES C[C@H]1OC(=O)N([C@H]1CF)c1noc2c(F)c3N4C[C@@H](C)O[C@@H](C)[C@@H]4C4(Cc3cc12)C(=O)NC(=O)NC4=O |r|
Show InChI InChI=1S/C23H23F2N5O7/c1-8-7-29-15-11(5-23(17(29)10(3)35-8)19(31)26-21(33)27-20(23)32)4-12-16(14(15)25)37-28-18(12)30-13(6-24)9(2)36-22(30)34/h4,8-10,13,17H,5-7H2,1-3H3,(H2,26,27,31,32,33)/t8-,9-,10+,13+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 440n/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