BDBM50380197 CHEMBL2011406::US10406136, Compound 9

SMILES [#6]-[#8]-c1cc(cc(-[#8]-[#6])c1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc2-[#8]-1

InChI Key InChIKey=UPBJEHBYZUPVDF-CXUHLZMHSA-N

Data  2 KI  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50380197   

TargetCarboxylic ester hydrolase(Equus caballus (Horse))
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50380197(CHEMBL2011406 | US10406136, Compound 9)
Affinity DataKi:  7.52E+4nMAssay Description:Mixed type inhibition of equine BChE using butyrylthiocholine iodide as substrate by Lineweaver-Burk double-reciprocal-plot and dixon plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase(Clostridium perfringens)
Industry-Academic Cooperation Foundation Gyeongsang National University

US Patent
LigandPNGBDBM50380197(CHEMBL2011406 | US10406136, Compound 9)
Affinity DataKi:  2.87E+7nMAssay Description:Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetAcetylcholinesterase(Homo sapiens (Human))
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50380197(CHEMBL2011406 | US10406136, Compound 9)
Affinity DataIC50:  3.16E+5nMAssay Description:Inhibition of human erythrocyte AChE assessed as acetylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSialidase(Clostridium perfringens)
Industry-Academic Cooperation Foundation Gyeongsang National University

US Patent
LigandPNGBDBM50380197(CHEMBL2011406 | US10406136, Compound 9)
Affinity DataIC50:  3.84E+7nMAssay Description:Specifically, in order to determine IC50 of the compounds for neuraminidase, 0.01 U/ml of neuraminidase (EC. 3.2.1.8, C. perfringens, SIGMA, N2876) a...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetCarboxylic ester hydrolase(Equus caballus (Horse))
Graduate School Of Gyeongsang National University

Curated by ChEMBL
LigandPNGBDBM50380197(CHEMBL2011406 | US10406136, Compound 9)
Affinity DataIC50:  8.00E+4nMAssay Description:Inhibition of equine BChE assessed as butyrylthiocholine iodide hydrolysis after 10 mins preincubation by spectrophotometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed