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1 similar compounds to monomer 50414645

Compile data set for download or QSAR
Wt: 500.7
BDBM50356929

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50356929   
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
Cholinesterase


(Homo sapiens (Human))
BDBM50356929
PNG
(CHEMBL1915766)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H48O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23,32H,8-18H2,1-7H3/t19-,20-,21+,23+,29+,30+,31-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>2.00E+5n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of BChE assessed as hydrolysis of butrylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50356929
PNG
(CHEMBL1915766)
Show SMILES CCCCOC(=O)CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(C(=O)C[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1C[C@@H]3O
Show InChI InChI=1S/C31H48O5/c1-8-9-16-36-25(35)11-10-19(2)20-12-15-30(6)27-21(32)17-23-28(3,4)24(34)13-14-29(23,5)26(27)22(33)18-31(20,30)7/h19-21,23,32H,8-18H2,1-7H3/t19-,20-,21+,23+,29+,30+,31-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.23E+4n/an/an/an/an/an/a



Chungnam National University

Curated by ChEMBL


Assay Description
Inhibition of AChE assessed as hydrolysis of acetylcholine preincubated for 15 mins measured after 15 mins by colorimetric Ellman assay


Bioorg Med Chem Lett 21: 6603-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.042
BindingDB Entry DOI: 10.7270/Q2M61KN6
More data for this
Ligand-Target Pair