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BDBM50498097 CHEMBL3403860

SMILES: O=C(Cn1cc(nn1)C1CCCC1)N[C@H]1CCOC1=O

InChI Key: InChIKey=FTDJAEUSBIBRSM-JTQLQIEISA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50498097   
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
Pseudolysin


(Pseudomonas aeruginosa)
BDBM50498097
PNG
(CHEMBL3403860)
Show SMILES O=C(Cn1cc(nn1)C1CCCC1)N[C@H]1CCOC1=O |r|
Show InChI InChI=1S/C13H18N4O3/c18-12(14-10-5-6-20-13(10)19)8-17-7-11(15-16-17)9-3-1-2-4-9/h7,9-10H,1-6,8H2,(H,14,18)/t10-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 6.10E+5n/an/an/an/an/an/a



Technical University of Denmark

Curated by ChEMBL


Assay Description
Antagonist activity at lasB in Pseudomonas aeruginosa harboring lasB-gfp gene assessed as inhibition of 3-oxo-C6-HSL-induced quorum sensing by green ...


Bioorg Med Chem 23: 1638-50 (2015)


Article DOI: 10.1016/j.bmc.2015.01.038
BindingDB Entry DOI: 10.7270/Q2F192P6
More data for this
Ligand-Target Pair