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BDBM166651 4-((4-(5-nitrothiophene-2-carboxamido)phenyl)amino)-4-oxobutanoic acid (10)

SMILES: OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1

InChI Key: InChIKey=CNCBAAWCRTYXMY-UHFFFAOYSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 166651   
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 (DNA gyraseB)


(Staphylococcus aureus (Firmicutes))
BDBM166651
PNG
(4-((4-(5-nitrothiophene-2-carboxamido)phenyl)amino...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13N3O6S/c19-12(6-8-14(20)21)16-9-1-3-10(4-2-9)17-15(22)11-5-7-13(25-11)18(23)24/h1-5,7H,6,8H2,(H,16,19)(H,17,22)(H,20,21)
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.12E+3n/an/an/an/a7.625



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Supercoiling assay was performed using the commercially available kit (DNA gyrase supercoiling assay kit: SAS4001) from Inspiralis Pvt.limited, Norwi...


Chem Biol Drug Des 86: 918-25 (2015)


Article DOI: 10.1111/cbdd.12529
BindingDB Entry DOI: 10.7270/Q2610Z29
More data for this
Ligand-Target Pair
DNA gyrase subunit B (DNA gyraseB)


(Staphylococcus aureus (Firmicutes))
BDBM166651
PNG
(4-((4-(5-nitrothiophene-2-carboxamido)phenyl)amino...)
Show SMILES OC(=O)CCC(=O)Nc1ccc(NC(=O)c2ccc(s2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C15H13N3O6S/c19-12(6-8-14(20)21)16-9-1-3-10(4-2-9)17-15(22)11-5-7-13(25-11)18(23)24/h1-5,7H,6,8H2,(H,16,19)(H,17,22)(H,20,21)
PDB

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.25E+4n/an/an/an/a7.5n/a



Birla Institute of Technology & Science-Pilani, Hyderabad Campus



Assay Description
Initially, equimolar quantities of about 0.5ÁM each of E. coli gyraseA and S. aureus gyraseB were incubated for a period of 45 min with salmon sperm ...


Chem Biol Drug Des 86: 918-25 (2015)


Article DOI: 10.1111/cbdd.12529
BindingDB Entry DOI: 10.7270/Q2610Z29
More data for this
Ligand-Target Pair