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SMILES: Cc1cn([C@@H]2O[C@H](COP3(=O)OCc4cccc(c4O3)C(C)(C)C)C=C2)c(=O)[nH]c1=O

InChI Key: InChIKey=UFZMRGCCVPDARB-HCFBYUPRSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50422507   
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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50422507
PNG
(CHEMBL375567)
Show SMILES Cc1cn([C@@H]2O[C@H](COP3(=O)OCc4cccc(c4O3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:26|
Show InChI InChI=1S/C21H25N2O7P/c1-13-10-23(20(25)22-19(13)24)17-9-8-15(29-17)12-28-31(26)27-11-14-6-5-7-16(18(14)30-31)21(2,3)4/h5-10,15,17H,11-12H2,1-4H3,(H,22,24,25)/t15-,17+,31?/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards Electrophorus electricus acetylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50422507
PNG
(CHEMBL375567)
Show SMILES Cc1cn([C@@H]2O[C@H](COP3(=O)OCc4cccc(c4O3)C(C)(C)C)C=C2)c(=O)[nH]c1=O |c:26|
Show InChI InChI=1S/C21H25N2O7P/c1-13-10-23(20(25)22-19(13)24)17-9-8-15(29-17)12-28-31(26)27-11-14-6-5-7-16(18(14)30-31)21(2,3)4/h5-10,15,17H,11-12H2,1-4H3,(H,22,24,25)/t15-,17+,31?/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.20E+3n/an/an/an/an/an/a



University of Hamburg

Curated by ChEMBL


Assay Description
Inhibitory activity towards human butyrylcholinesterase


J Med Chem 47: 2839-52 (2004)


Article DOI: 10.1021/jm031032a
BindingDB Entry DOI: 10.7270/Q2P84CN5
More data for this
Ligand-Target Pair