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SMILES: CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)C(=O)\C=C\c4ccccc4)CC3)c(F)cc2c1=O

InChI Key: InChIKey=TYOUWTRGYLZOGF-VGOFMYFVSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 221059   
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)		BDBM221059
PNG
(7-(4-((4-((E)-3-(Phenylacryloyl)phenylcarbamoyl)me...)
Show SMILES CNC(=O)c1cn(C2CC2)c2cc(N3CCN(CC(=O)Nc4ccc(cc4)C(=O)\C=C\c4ccccc4)CC3)c(F)cc2c1=O
Show InChI InChI=1S/C35H34FN5O4/c1-37-35(45)28-21-41(26-12-13-26)30-20-31(29(36)19-27(30)34(28)44)40-17-15-39(16-18-40)22-33(43)38-25-10-8-24(9-11-25)32(42)14-7-23-5-3-2-4-6-23/h2-11,14,19-21,26H,12-13,15-18,22H2,1H3,(H,37,45)(H,38,43)/b14-7+
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.41E+6n/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