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BDBM50510296 CHEMBL4592804

SMILES: Cn1nc(O[C@@H](CN)c2ccccc2)c2cc(ccc12)-c1ccccc1Cl

InChI Key: InChIKey=XCRCNOARVDCBJC-NRFANRHFSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50510296   
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


(Escherichia coli (strain K12))		BDBM50510296
PNG
(CHEMBL4592804)
Show SMILES Cn1nc(O[C@@H](CN)c2ccccc2)c2cc(ccc12)-c1ccccc1Cl |r|
Show InChI InChI=1S/C22H20ClN3O/c1-26-20-12-11-16(17-9-5-6-10-19(17)23)13-18(20)22(25-26)27-21(14-24)15-7-3-2-4-8-15/h2-13,21H,14,24H2,1H3/t21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli his-tagged DNA gyrase supercoiling activity using pBR322 DNA in presence of ATP incubated for 1 hr by H19 dye based hi...

Bioorg Med Chem Lett 29: 1407-1412 (2019)


Article DOI: 10.1016/j.bmcl.2019.03.029
More data for this
Ligand-Target Pair