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BDBM221055 7-(4-((4-((E)-3-(3,4,5-Trimetoxyphenylacryloyl)phenylcarbamoyl)methyl) piperazin-1-yl)-1-cyclopropyl-6-fluoro-1,4-dihydro-N-hydroxy-4-oxoquinoline-3-carboxamide (2e)

SMILES: COc1cc(\C=C\C(=O)c2ccc(NC(=O)CN3CCN(CC3)c3cc4n(cc(C(=O)NO)c(=O)c4cc3F)C3CC3)cc2)cc(OC)c1OC

InChI Key: InChIKey=XMQRYRMVSKNQCK-NYYWCZLTSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221055   
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
Urease subunit alpha


(Helicobacter pylori)		BDBM221055
PNG
(7-(4-((4-((E)-3-(3,4,5-Trimetoxyphenylacryloyl)phe...)
Show SMILES COc1cc(\C=C\C(=O)c2ccc(NC(=O)CN3CCN(CC3)c3cc4n(cc(C(=O)NO)c(=O)c4cc3F)C3CC3)cc2)cc(OC)c1OC
Show InChI InChI=1S/C37H38FN5O8/c1-49-32-16-22(17-33(50-2)36(32)51-3)4-11-31(44)23-5-7-24(8-6-23)39-34(45)21-41-12-14-42(15-13-41)30-19-29-26(18-28(30)38)35(46)27(37(47)40-48)20-43(29)25-9-10-25/h4-8,11,16-20,25,48H,9-10,12-15,21H2,1-3H3,(H,39,45)(H,40,47)/b11-4+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.49E+5n/an/an/an/an/an/a



Minia University



Assay Description
The assay mixture, containing 50 μl (2 mg/ml) of enzyme and 100 μl of different concentration of the tested agents, was added to 850 μ...

Bioorg Chem 70: 1-11 (2017)


Article DOI: 10.1016/j.bioorg.2016.11.002
BindingDB Entry DOI: 10.7270/Q2PZ57NS
More data for this
Ligand-Target Pair