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BDBM50316367 3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpine::CHEMBL1096952

SMILES: CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1

InChI Key: InChIKey=OXBFBPQXYBLXFZ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50316367   
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))
BDBM50316367
PNG
(3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpi...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)14-21(30)25-15-9-10-20-18(13-15)24(31)29-12-11-17-16-7-5-6-8-19(16)26-22(17)23(29)27-20/h5-13,26H,3-4,14H2,1-2H3,(H,25,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 57.1n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
inhibition of electic eel AChE by Ellman's method


Eur J Med Chem 45: 1415-23 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.044
BindingDB Entry DOI: 10.7270/Q2CN742S
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50316367
PNG
(3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpi...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)14-21(30)25-15-9-10-20-18(13-15)24(31)29-12-11-17-16-7-5-6-8-19(16)26-22(17)23(29)27-20/h5-13,26H,3-4,14H2,1-2H3,(H,25,30)
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 70n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of electric eel acetylcholinesterase using acetylthiocholine as substrate incubated for 15 mins followed by substrate addition measured fo...


Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50316367
PNG
(3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpi...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)14-21(30)25-15-9-10-20-18(13-15)24(31)29-12-11-17-16-7-5-6-8-19(16)26-22(17)23(29)27-20/h5-13,26H,3-4,14H2,1-2H3,(H,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.41E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibition of horse serum butyrylcholinesterase using butylthiocholine as substrate incubated for 15 mins followed by substrate addition measured for...


Eur J Med Chem 63: 299-312 (2013)


Article DOI: 10.1016/j.ejmech.2013.02.014
BindingDB Entry DOI: 10.7270/Q2SQ91RP
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50316367
PNG
(3-(2-Diethylamino-acetamino)-7,8-dehydrorutaecarpi...)
Show SMILES CCN(CC)CC(=O)Nc1ccc2nc3c4[nH]c5ccccc5c4ccn3c(=O)c2c1
Show InChI InChI=1S/C24H23N5O2/c1-3-28(4-2)14-21(30)25-15-9-10-20-18(13-15)24(31)29-12-11-17-16-7-5-6-8-19(16)26-22(17)23(29)27-20/h5-13,26H,3-4,14H2,1-2H3,(H,25,30)
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.14E+4n/an/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
inhibition of equine serum BuChE by Ellman's method


Eur J Med Chem 45: 1415-23 (2010)


Article DOI: 10.1016/j.ejmech.2009.12.044
BindingDB Entry DOI: 10.7270/Q2CN742S
More data for this
Ligand-Target Pair