BindingDB logo
myBDB logout

PubMed code 21273074

Compile data set for download or QSAR
Found 10 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336473
PNG
(CHEMBL1668494 | N1-cyclohexyl-N4-(4-methyl-2-(pyrr...)
Show SMILES Cc1cc(nc2ccc(NC(=O)CCC(=O)NC3CCCCC3)cc12)N1CCCC1
Show InChI InChI=1S/C24H32N4O2/c1-17-15-22(28-13-5-6-14-28)27-21-10-9-19(16-20(17)21)26-24(30)12-11-23(29)25-18-7-3-2-4-8-18/h9-10,15-16,18H,2-8,11-14H2,1H3,(H,25,29)(H,26,30)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336470
PNG
(2-(2,4-dimethylphenoxy)-N-(4-(piperidin-1-ylmethyl...)
Show SMILES Cc1ccc(OCC(=O)Nc2ccc(CN3CCCCC3)cc2)c(C)c1
Show InChI InChI=1S/C22H28N2O2/c1-17-6-11-21(18(2)14-17)26-16-22(25)23-20-9-7-19(8-10-20)15-24-12-4-3-5-13-24/h6-11,14H,3-5,12-13,15-16H2,1-2H3,(H,23,25)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336472
PNG
(5-bromo-2-methoxy-N-(4-(piperidin-1-ylmethyl)pheny...)
Show SMILES COc1ccc(Br)cc1C(=O)Nc1ccc(CN2CCCCC2)cc1
Show InChI InChI=1S/C20H23BrN2O2/c1-25-19-10-7-16(21)13-18(19)20(24)22-17-8-5-15(6-9-17)14-23-11-3-2-4-12-23/h5-10,13H,2-4,11-12,14H2,1H3,(H,22,24)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336468
PNG
(1-(5-(4-(azepane-1-carbonyl)piperidin-1-yl)-1,3,4-...)
Show SMILES O=C(C1CCN(CC1)c1nnc(s1)N1CCCC1=O)N1CCCCCC1
Show InChI InChI=1S/C18H27N5O2S/c24-15-6-5-11-23(15)18-20-19-17(26-18)22-12-7-14(8-13-22)16(25)21-9-3-1-2-4-10-21/h14H,1-13H2
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336471
PNG
(CHEMBL1668492 | N'-(5-Ethyl-1,2,3,4-tetrahydro-7-t...)
Show SMILES CCc1nc2sc3c(NCCN(C)C)ncnc3c2c2CCCCc12
Show InChI InChI=1S/C19H25N5S/c1-4-14-12-7-5-6-8-13(12)15-16-17(25-19(15)23-14)18(22-11-21-16)20-9-10-24(2)3/h11H,4-10H2,1-3H3,(H,20,21,22)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM51607
PNG
((3E)-6-hexyl-3-[5-(2-methoxyphenyl)-3H-1,3,4-oxadi...)
Show SMILES CCCCCCC1=Cc2c\c(=C3\NN=C(O3)c3ccccc3OC)c(=O)oc2=CC1=O |c:13,30,t:6|
Show InChI InChI=1S/C24H24N2O5/c1-3-4-5-6-9-15-12-16-13-18(24(28)30-21(16)14-19(15)27)23-26-25-22(31-23)17-10-7-8-11-20(17)29-2/h7-8,10-14,26H,3-6,9H2,1-2H3/b23-18+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336469
PNG
(CHEMBL1668491 | N,N'-(2-chloro-1,4-phenylene)bis(2...)
Show SMILES Clc1cc(NC(=O)CN2CCCCC2)ccc1NC(=O)CN1CCCCC1
Show InChI InChI=1S/C20H29ClN4O2/c21-17-13-16(22-19(26)14-24-9-3-1-4-10-24)7-8-18(17)23-20(27)15-25-11-5-2-6-12-25/h7-8,13H,1-6,9-12,14-15H2,(H,22,26)(H,23,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336467
PNG
(CHEMBL1668489 | N-[3-((3R,5R)-3,5-Dimethyl-piperid...)
Show SMILES CCc1nn(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(=O)c2cc3sc(C)cc3n12 |r|
Show InChI InChI=1S/C23H33N5O2S/c1-5-21-25-27(23(30)19-11-20-18(28(19)21)10-17(4)31-20)14-22(29)24-7-6-8-26-12-15(2)9-16(3)13-26/h10-11,15-16H,5-9,12-14H2,1-4H3,(H,24,29)/t15-,16-/m1/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336474
PNG
(CHEMBL1668495 | ethyl 4-(3,4-dimethoxyphenyl)-2-(3...)
Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)scc1-c1ccc(OC)c(OC)c1
Show InChI InChI=1S/C24H32N2O5S/c1-5-31-24(28)22-18(17-6-7-19(29-3)20(14-17)30-4)15-32-23(22)25-21(27)10-13-26-11-8-16(2)9-12-26/h6-7,14-16H,5,8-13H2,1-4H3,(H,25,27)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.28E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50336475
PNG
((S)-ethyl 5-methyl-2-(3-(4-methylpiperidin-1-yl)pr...)
Show SMILES CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc2CC[C@H](C)Cc12 |r|
Show InChI InChI=1S/C21H32N2O3S/c1-4-26-21(25)19-16-13-15(3)5-6-17(16)27-20(19)22-18(24)9-12-23-10-7-14(2)8-11-23/h14-15H,4-13H2,1-3H3,(H,22,24)/t15-/m0/s1
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.99E+3n/an/an/an/an/an/a



National Institute of Pharmaceutical Education and Research (NIPER)

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE by Ellman's method

Bioorg Med Chem Lett 21: 1105-12 (2011)


Article DOI: 10.1016/j.bmcl.2010.12.131
BindingDB Entry DOI: 10.7270/Q2V988B9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%