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SMILES: CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12

InChI Key:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50554225   
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))
BDBM50554225
PNG
(CHEMBL4744156)
Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of Escherichia coli DNA gyrase by measuring supercoiling activity incubated for 60 mins by fluorescence based assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115776
BindingDB Entry DOI: 10.7270/Q2W66QFJ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50554225
PNG
(CHEMBL4744156)
Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human ERG expressed in CHO cells by Q-patch clamp assay


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115776
BindingDB Entry DOI: 10.7270/Q2W66QFJ
More data for this
Ligand-Target Pair
DNA topoisomerase 2-alpha


(Homo sapiens (Human))
BDBM50554225
PNG
(CHEMBL4744156)
Show SMILES CNc1cc(F)cc2c(O)c(C(=O)Nc3ccc(cc3)C(O)=O)c(=O)[nH]c12
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human topoisomerase 2alpha


Citation and Details

Article DOI: 10.1016/j.bmc.2020.115776
BindingDB Entry DOI: 10.7270/Q2W66QFJ
More data for this
Ligand-Target Pair