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SMILES: CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cccnc1

InChI Key: InChIKey=ASLMIDYEWPPSGH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50497602   
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


(Escherichia coli (strain K12))		BDBM50497602
PNG
(CHEMBL222333 | VRT-752586)
Show SMILES CCNC(=O)Nc1nc2cc(cc(-c3ncccc3F)c2[nH]1)-c1cccnc1
Show InChI InChI=1S/C20H17FN6O/c1-2-23-20(28)27-19-25-16-10-13(12-5-3-7-22-11-12)9-14(18(16)26-19)17-15(21)6-4-8-24-17/h3-11H,2H2,1H3,(H3,23,25,26,27,28)
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KEGG

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PC cid
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PubMed
 6n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Inhibition of aureus Escherichia coli DNA gyrase A2B2 using pBR322 plasmid DNA as substrate by coupled enzyme reaction assay

J Med Chem 57: 8792-816 (2014)


Article DOI: 10.1021/jm500563g
BindingDB Entry DOI: 10.7270/Q2TF01BF
More data for this
Ligand-Target Pair