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PubMed code 27474931

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))
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
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Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
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Article
PubMed
1.12E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204662
PNG
(CHEMBL3966855)
Show SMILES Cc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H31N3O4Se/c1-13-5-7-14(8-6-13)21-19(27)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,27)/t15-,16+,17-,18-/m1/s1
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Article
PubMed
1.69E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204661
PNG
(CHEMBL3892394)
Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1
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Article
PubMed
5.88E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-substrate-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204661
PNG
(CHEMBL3892394)
Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1
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Article
PubMed
8.31E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50204662
PNG
(CHEMBL3966855)
Show SMILES Cc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H31N3O4Se/c1-13-5-7-14(8-6-13)21-19(27)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,27)/t15-,16+,17-,18-/m1/s1
UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
1.05E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel acetylcholinesterase assessed as enzyme-inhibitor complex by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM18351
PNG
((2R,3R,4R,5S)-2-(Hydroxymethyl)piperidine-3,4,5-tr...)
Show SMILES OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Show InChI InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1
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CHEMBL
MCE
KEGG
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UniChem

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Article
PubMed
2.70E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using p-nitrophenyl-mannopyranoside as substrate measured every 2 mins


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
2.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-substrate-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substr...


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204663
PNG
(CHEMBL3894489)
Show SMILES OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1CCCCCNC(=[Se])Nc1ccc(Br)cc1 |r|
Show InChI InChI=1S/C18H28BrN3O4Se/c19-12-4-6-13(7-5-12)21-18(27)20-8-2-1-3-9-22-10-15(24)17(26)16(25)14(22)11-23/h4-7,14-17,23-26H,1-3,8-11H2,(H2,20,21,27)/t14-,15+,16-,17-/m1/s1
PDB

UniProtKB/SwissProt

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PC sid
UniChem

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Article
PubMed
3.90E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Mixed-type inhibition of jack bean alpha-mannosidase assessed as enzyme-inhibitor complex using o-orp-nitrophenyl-glycopyranoside as substrate by Lin...


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
Alpha-mannosidase


(Canavalia ensiformis)
BDBM50204661
PNG
(CHEMBL3892394)
Show SMILES COc1ccc(NC(=[Se])NCCCCCN2C[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO)cc1 |r|
Show InChI InChI=1S/C19H31N3O5Se/c1-27-14-7-5-13(6-8-14)21-19(28)20-9-3-2-4-10-22-11-16(24)18(26)17(25)15(22)12-23/h5-8,15-18,23-26H,2-4,9-12H2,1H3,(H2,20,21,28)/t15-,16+,17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
5.10E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of jack bean alpha-mannosidase using o-orp-nitrophenyl-glycopyranoside as substrate by Lineweaver-Burk plot method


Eur J Med Chem 123: 155-160 (2016)


Article DOI: 10.1016/j.ejmech.2016.07.021
BindingDB Entry DOI: 10.7270/Q2C24ZD6
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%