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BDBM50490574 CHEMBL2338462

SMILES: CCCCNC(=O)OCC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1

InChI Key: InChIKey=XBIATPMTUUXULB-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50490574   
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 B


(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)		BDBM50490574
PNG
(CHEMBL2338462)
Show SMILES CCCCNC(=O)OCC1CN(CCN1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1
Show InChI InChI=1S/C23H29FN4O5/c1-2-3-6-26-23(32)33-13-14-11-27(8-7-25-14)20-10-19-16(9-18(20)24)21(29)17(22(30)31)12-28(19)15-4-5-15/h9-10,12,14-15,25H,2-8,11,13H2,1H3,(H,26,32)(H,30,31)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.51E+4n/an/an/an/an/an/a



Universit£ Paris Diderot

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis DNA gyrase GyrA/GyrB assessed as reduction of enzyme supercoiling activity using relaxed pBR322 DNA substrat...

Bioorg Med Chem 21: 948-56 (2013)


Article DOI: 10.1016/j.bmc.2012.12.011
BindingDB Entry DOI: 10.7270/Q2FF3W92
More data for this
Ligand-Target Pair