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BDBM50100689 CHEMBL3323160

SMILES: CCOC(=O)c1cc2cc(ccc2o1)N1CCN(CC1)C(=O)CCc1ccc(F)cc1

InChI Key: InChIKey=ZSEHHIQFHZHXHO-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50100689   
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 smegmatis)
BDBM50100689
PNG
(CHEMBL3323160)
Show SMILES CCOC(=O)c1cc2cc(ccc2o1)N1CCN(CC1)C(=O)CCc1ccc(F)cc1
Show InChI InChI=1S/C24H25FN2O4/c1-2-30-24(29)22-16-18-15-20(8-9-21(18)31-22)26-11-13-27(14-12-26)23(28)10-5-17-3-6-19(25)7-4-17/h3-4,6-9,15-16H,2,5,10-14H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.14E+3n/an/an/an/an/an/a



Institute of Technology & Science-Pilani

Curated by ChEMBL


Assay Description
Inhibition of 6-His-tagged Mycobacterium smegmatis GyrB expressed in Escherichia coli BL21 (DE3) pLysS cells incubated for 100 mins in presence of AT...


Bioorg Med Chem 22: 4924-34 (2014)


Article DOI: 10.1016/j.bmc.2014.06.041
BindingDB Entry DOI: 10.7270/Q2J9685H
More data for this
Ligand-Target Pair