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Compile Data Set for Download or QSAR

Found 1 hit of ic50 for UniProtKB: P9WG45   
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/B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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Article
PubMed
n/an/a 3.77E+4n/an/an/an/an/an/a



CSIR-Central Institute of Medicinal and Aromatic Plants (CSIR-CIMAP)

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase supercoiling activity using relaxed pBR322 as substrate after 30 mins by agarose gel electrophore...


Bioorg Med Chem 26: 4551-4559 (2018)


Article DOI: 10.1016/j.bmc.2018.07.049
BindingDB Entry DOI: 10.7270/Q2XD14C3
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)