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SMILES: [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCc3cn(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)nn3)Cc3ccc(OC)c(O2)c13

InChI Key:

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50577151   
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))
BDBM50577151
PNG
(CHEMBL4852686)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCc3cn(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)nn3)Cc3ccc(OC)c(O2)c13 |r,c:5|
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 554n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human serum BuChe using butyrylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116269
BindingDB Entry DOI: 10.7270/Q2377DJR
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50577151
PNG
(CHEMBL4852686)
Show SMILES [H][C@]12C[C@@H](O)C=C[C@]11CCN(CCCCc3cn(CC(=O)NCCc4c[nH]c5ccc(OC)cc45)nn3)Cc3ccc(OC)c(O2)c13 |r,c:5|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human erythrocyte AChE using acetylthiocholine iodide as substrate incubated for 25 mins by DTNB reagent based Ellman's method


Citation and Details

Article DOI: 10.1016/j.bmc.2021.116269
BindingDB Entry DOI: 10.7270/Q2377DJR
More data for this
Ligand-Target Pair