BindingDB logo
myBDB logout

PubMed code 27923535

Compile data set for download or QSAR
Found 39 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))		BDBM50207456
PNG
(CHEMBL3943883)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)10-16-6-7-17(20(26)11-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
PDB
Article
PubMed
n/an/a 2.70n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207440
PNG
(CHEMBL3952627)
Show SMILES CCN(CC)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C23H27NO5/c1-5-24(6-2)13-16-8-7-15(10-19(16)25)9-17-14-29-20-12-22(28-4)21(27-3)11-18(20)23(17)26/h7-12,25H,5-6,13-14H2,1-4H3/b17-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.80n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 83n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207441
PNG
(CHEMBL3961309)
Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H16O5/c1-21-16-8-14-15(9-17(16)22-2)23-10-12(18(14)20)6-11-4-3-5-13(19)7-11/h3-9,19H,10H2,1-2H3/b12-6+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 190n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207443
PNG
(CHEMBL3915922)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-21-11-18-20(12-22(21)28-2)29-14-17(23(18)26)9-15-5-6-16(19(25)10-15)13-24-7-3-4-8-24/h5-6,9-12,25H,3-4,7-8,13-14H2,1-2H3/b17-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 362n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207457
PNG
(CHEMBL3984772)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C28H29NO5/c1-4-29(16-19-8-6-5-7-9-19)17-21-11-10-20(13-24(21)30)12-22-18-34-25-15-27(33-3)26(32-2)14-23(25)28(22)31/h5-15,30H,4,16-18H2,1-3H3/b22-12+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 364n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207455
PNG
(CHEMBL3924914)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C21H23NO5/c1-22(2)11-14-6-5-13(8-17(14)23)7-15-12-27-18-10-20(26-4)19(25-3)9-16(18)21(15)24/h5-10,23H,11-12H2,1-4H3/b15-7+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 536n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207443
PNG
(CHEMBL3915922)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO5/c1-27-21-11-18-20(12-22(21)28-2)29-14-17(23(18)26)9-15-5-6-16(19(25)10-15)13-24-7-3-4-8-24/h5-6,9-12,25H,3-4,7-8,13-14H2,1-2H3/b17-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 722n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207455
PNG
(CHEMBL3924914)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)C)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C21H23NO5/c1-22(2)11-14-6-5-13(8-17(14)23)7-15-12-27-18-10-20(26-4)19(25-3)9-16(18)21(15)24/h5-10,23H,11-12H2,1-4H3/b15-7+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 882n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207442
PNG
(CHEMBL3975706)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-25-6-8-26(9-7-25)14-17-5-4-16(11-20(17)27)10-18-15-31-21-13-23(30-3)22(29-2)12-19(21)24(18)28/h4-5,10-13,27H,6-9,14-15H2,1-3H3/b18-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 915n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207453
PNG
(CHEMBL3905844)
Show SMILES COc1cc2OC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)11-16-6-7-20(26)17(10-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 928n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207461
PNG
(CHEMBL3904918)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO6/c1-27-21-11-18-20(12-22(21)28-2)30-14-17(23(18)26)9-15-3-4-16(19(25)10-15)13-24-5-7-29-8-6-24/h3-4,9-12,25H,5-8,13-14H2,1-2H3/b17-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.01E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207452
PNG
(CHEMBL3983738)
Show SMILES COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C28H29NO6/c1-29(16-20-7-5-6-8-24(20)32-2)15-19-10-9-18(12-23(19)30)11-21-17-35-25-14-27(34-4)26(33-3)13-22(25)28(21)31/h5-14,30H,15-17H2,1-4H3/b21-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.03E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207444
PNG
(CHEMBL3913913)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27NO5/c1-28(15-18-7-5-4-6-8-18)16-20-10-9-19(12-23(20)29)11-21-17-33-24-14-26(32-3)25(31-2)13-22(24)27(21)30/h4-14,29H,15-17H2,1-3H3/b21-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.15E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207461
PNG
(CHEMBL3904918)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCOCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO6/c1-27-21-11-18-20(12-22(21)28-2)30-14-17(23(18)26)9-15-3-4-16(19(25)10-15)13-24-5-7-29-8-6-24/h3-4,9-12,25H,5-8,13-14H2,1-2H3/b17-9+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.29E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207458
PNG
(CHEMBL3928434)
Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
Show InChI InChI=1S/C30H34N2O5/c1-6-32(17-21-9-7-8-10-25(21)31(2)3)18-22-12-11-20(14-26(22)33)13-23-19-37-27-16-29(36-5)28(35-4)15-24(27)30(23)34/h7-16,33H,6,17-19H2,1-5H3/b23-13+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.34E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM10989
PNG
((1R)-N-(prop-2-yn-1-yl)-2,3-dihydro-1H-inden-1-ami...)
Show SMILES C#CCN[C@@H]1CCc2ccccc12 |r|
Show InChI InChI=1S/C12H13N/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12/h1,3-6,12-13H,7-9H2/t12-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.42E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207450
PNG
(CHEMBL3956126)
Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
Show InChI InChI=1S/C29H31NO6/c1-5-30(17-21-8-6-7-9-25(21)33-2)16-20-11-10-19(13-24(20)31)12-22-18-36-26-15-28(35-4)27(34-3)14-23(26)29(22)32/h6-15,31H,5,16-18H2,1-4H3/b22-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207457
PNG
(CHEMBL3984772)
Show SMILES CCN(Cc1ccccc1)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C28H29NO5/c1-4-29(16-19-8-6-5-7-9-19)17-21-11-10-20(13-24(21)30)12-22-18-34-25-15-27(33-3)26(32-2)14-23(25)28(22)31/h5-15,30H,4,16-18H2,1-3H3/b22-12+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.72E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207456
PNG
(CHEMBL3943883)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCCCC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)10-16-6-7-17(20(26)11-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-10+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.74E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.95E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207444
PNG
(CHEMBL3913913)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN(C)Cc4ccccc4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C27H27NO5/c1-28(15-18-7-5-4-6-8-18)16-20-10-9-19(12-23(20)29)11-21-17-33-24-14-26(32-3)25(31-2)13-22(24)27(21)30/h4-14,29H,15-17H2,1-3H3/b21-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.99E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207440
PNG
(CHEMBL3952627)
Show SMILES CCN(CC)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C23H27NO5/c1-5-24(6-2)13-16-8-7-15(10-19(16)25)9-17-14-29-20-12-22(28-4)21(27-3)11-18(20)23(17)26/h7-12,25H,5-6,13-14H2,1-4H3/b17-9+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 2.43E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))		BDBM29136
PNG
(CHEMBL92401 | Euphozid | Iprazid | Iproniazid)
Show SMILES CC(C)NNC(=O)c1ccncc1
Show InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H,1-2H3,(H,12,13)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.56E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-A using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM15581
PNG
(CHEMBL8706 | CLG | CLORGILINE | Clorgyline | N-[3-...)
Show SMILES CN(CCCOc1ccc(Cl)cc1Cl)CC#C
Show InChI InChI=1S/C13H15Cl2NO/c1-3-7-16(2)8-4-9-17-13-6-5-11(14)10-12(13)15/h1,5-6,10H,4,7-9H2,2H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 4.19E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207442
PNG
(CHEMBL3975706)
Show SMILES COc1cc2OC\C(=C/c3ccc(CN4CCN(C)CC4)c(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-25-6-8-26(9-7-25)14-17-5-4-16(11-20(17)27)10-18-15-31-21-13-23(30-3)22(29-2)12-19(21)24(18)28/h4-5,10-13,27H,6-9,14-15H2,1-3H3/b18-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 6.26E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))		BDBM50207453
PNG
(CHEMBL3905844)
Show SMILES COc1cc2OC\C(=C/c3ccc(O)c(CN4CCCCC4)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H27NO5/c1-28-22-12-19-21(13-23(22)29-2)30-15-18(24(19)27)11-16-6-7-20(26)17(10-16)14-25-8-4-3-5-9-25/h6-7,10-13,26H,3-5,8-9,14-15H2,1-2H3/b18-11+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAO-B using kynuramine as substrate measured after 30 mins by fluorescence assay

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207450
PNG
(CHEMBL3956126)
Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1OC
Show InChI InChI=1S/C29H31NO6/c1-5-30(17-21-8-6-7-9-25(21)33-2)16-20-11-10-19(13-24(20)31)12-22-18-36-26-15-28(35-4)27(34-3)14-23(26)29(22)32/h6-15,31H,5,16-18H2,1-4H3/b22-12+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.57E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207452
PNG
(CHEMBL3983738)
Show SMILES COc1ccccc1CN(C)Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O
Show InChI InChI=1S/C28H29NO6/c1-29(16-20-7-5-6-8-24(20)32-2)15-19-10-9-18(12-23(19)30)11-21-17-35-25-14-27(34-4)26(33-3)13-22(25)28(21)31/h5-14,30H,15-17H2,1-4H3/b21-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.64E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207458
PNG
(CHEMBL3928434)
Show SMILES CCN(Cc1ccc(\C=C2/COc3cc(OC)c(OC)cc3C2=O)cc1O)Cc1ccccc1N(C)C
Show InChI InChI=1S/C30H34N2O5/c1-6-32(17-21-9-7-8-10-25(21)31(2)3)18-22-12-11-20(14-26(22)33)13-23-19-37-27-16-29(36-5)28(35-4)15-24(27)30(23)34/h7-16,33H,6,17-19H2,1-5H3/b23-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 1.81E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Carboxylic ester hydrolase


(Rattus norvegicus (rat))		BDBM8960
PNG
((+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimet...)
Show SMILES COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
MCE
PC cid
PC sid
PDB
UniChem

Patents

Similars
Article
PubMed
n/an/a 2.14E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of rat serum BuChE measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207451
PNG
(CHEMBL3965383)
Show SMILES COc1ccccc1CN(C)Cc1c(O)cccc1\C=C1/COc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C28H29NO6/c1-29(15-19-8-5-6-11-24(19)32-2)16-22-18(9-7-10-23(22)30)12-20-17-35-25-14-27(34-4)26(33-3)13-21(25)28(20)31/h5-14,30H,15-17H2,1-4H3/b20-12+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.33E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207460
PNG
(CHEMBL3955220)
Show SMILES CCN(CC)Cc1c(O)cccc1\C=C1/COc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C23H27NO5/c1-5-24(6-2)13-18-15(8-7-9-19(18)25)10-16-14-29-20-12-22(28-4)21(27-3)11-17(20)23(16)26/h7-12,25H,5-6,13-14H2,1-4H3/b16-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 3.74E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207441
PNG
(CHEMBL3961309)
Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3)C(=O)c2cc1OC
Show InChI InChI=1S/C18H16O5/c1-21-16-8-14-15(9-17(16)22-2)23-10-12(18(14)20)6-11-4-3-5-13(19)7-11/h3-9,19H,10H2,1-2H3/b12-6+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 5.93E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207462
PNG
(CHEMBL3938618)
Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3CN3CCN(C)CC3)C(=O)c2cc1OC
Show InChI InChI=1S/C24H28N2O5/c1-25-7-9-26(10-8-25)14-19-16(5-4-6-20(19)27)11-17-15-31-21-13-23(30-3)22(29-2)12-18(21)24(17)28/h4-6,11-13,27H,7-10,14-15H2,1-3H3/b17-11+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 8.41E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207454
PNG
(CHEMBL3968181)
Show SMILES COc1cc2OC\C(=C/c3cccc(O)c3CN3CCOCC3)C(=O)c2cc1OC
Show InChI InChI=1S/C23H25NO6/c1-27-21-11-17-20(12-22(21)28-2)30-14-16(23(17)26)10-15-4-3-5-19(25)18(15)13-24-6-8-29-9-7-24/h3-5,10-12,25H,6-9,13-14H2,1-2H3/b16-10+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Similars
Article
PubMed
n/an/a 8.59E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))		BDBM50207459
PNG
(CHEMBL3939153)
Show SMILES CCN(Cc1ccccc1)Cc1c(O)cccc1\C=C1/COc2cc(OC)c(OC)cc2C1=O
Show InChI InChI=1S/C28H29NO5/c1-4-29(16-19-9-6-5-7-10-19)17-23-20(11-8-12-24(23)30)13-21-18-34-25-15-27(33-3)26(32-2)14-22(25)28(21)31/h5-15,30H,4,16-18H2,1-3H3/b21-13+
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 1.72E+5n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate measured after 15 mins by Ellman's method

Bioorg Med Chem 25: 714-726 (2017)


Article DOI: 10.1016/j.bmc.2016.11.048
BindingDB Entry DOI: 10.7270/Q21C1ZVW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%