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PubMed code 26278660

Compile data set for download or QSAR
Found 90 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))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 0.450n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C31H34N4.2HI/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35;;/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 0.5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 0.520n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111775
PNG
(CHEMBL3605360)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C32H36N4.2HI/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36;;/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 0.640n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111778
PNG
(CHEMBL3605363)
Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4.2HI/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39;;/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 2.30n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
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
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n/an/a 3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111780
PNG
(CHEMBL3605365)
Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C37H46N4.2HI/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41;;/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 3.10n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111777
PNG
(CHEMBL3605362)
Show SMILES [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39;;/h12-17,20-25H,5-11,18-19H2,1-4H3;2*1H/q+2;;/p-2
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n/an/a 4.10n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 4.40n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 5.30n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111772
PNG
(CHEMBL3605357)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
Show InChI InChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
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n/an/a 6.5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111779
PNG
(CHEMBL3605364)
Show SMILES [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39;;/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2;2*1H/q+2;;/p-2
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n/an/a 7.20n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111785
PNG
(CHEMBL3605370)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C35H48N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-15,22-23H,5-11,16-21,24-25H2,1-4H3
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n/an/a 7.40n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 13n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111772
PNG
(CHEMBL3605357)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
Show InChI InChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
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University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C30H32N4.2HI/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34;;/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 15n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
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n/an/a 16n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 16n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
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n/an/a 16n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317193
PNG
(2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-ca...)
Show SMILES CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
Show InChI InChI=1S/C33H44N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111784
PNG
(CHEMBL3605369)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C33H44N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 17n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317193
PNG
(2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-ca...)
Show SMILES CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
Show InChI InChI=1S/C33H44N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 24n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM8961
PNG
(1,2,3,4-tetrahydro-9-acridinamine | 1,2,3,4-tetrah...)
Show SMILES Nc1c2CCCCc2nc2ccccc12
Show InChI InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15)
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n/an/a 27n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111775
PNG
(CHEMBL3605360)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C32H36N4.2HI/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36;;/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 31n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111782
PNG
(CHEMBL3605367)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C31H40N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-15H,3-5,10-11,16-23H2,1-2H3
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n/an/a 32n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111778
PNG
(CHEMBL3605363)
Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4.2HI/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39;;/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 33n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111783
PNG
(CHEMBL3605368)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C32H42N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-16H,3-6,11-12,17-24H2,1-2H3
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n/an/a 35n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111782
PNG
(CHEMBL3605367)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C31H40N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-15H,3-5,10-11,16-23H2,1-2H3
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n/an/a 38n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 40n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111783
PNG
(CHEMBL3605368)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C32H42N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-16H,3-6,11-12,17-24H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111785
PNG
(CHEMBL3605370)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C35H48N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-15,22-23H,5-11,16-21,24-25H2,1-4H3
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n/an/a 44n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C31H34N4.2HI/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35;;/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 47n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111777
PNG
(CHEMBL3605362)
Show SMILES [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39;;/h12-17,20-25H,5-11,18-19H2,1-4H3;2*1H/q+2;;/p-2
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n/an/a 48n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
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n/an/a 50n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C31H34N4.2HI/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35;;/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 51n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111784
PNG
(CHEMBL3605369)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C33H44N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 52n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111780
PNG
(CHEMBL3605365)
Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C37H46N4.2HI/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41;;/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 56n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 60n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111775
PNG
(CHEMBL3605360)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C32H36N4.2HI/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36;;/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 66n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111781
PNG
(CHEMBL3605366)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
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n/an/a 77n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111781
PNG
(CHEMBL3605366)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
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n/an/a 80n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111779
PNG
(CHEMBL3605364)
Show SMILES [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39;;/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2;2*1H/q+2;;/p-2
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n/an/a 85n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
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n/an/a 89n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C30H32N4.2HI/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34;;/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 94n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C30H32N4.2HI/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34;;/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 97n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111774
PNG
(CHEMBL3605359)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C31H34N4.2HI/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35;;/h6-9,12-17,20-23H,3-5,10-11,18-19H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 120n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C33H38N4.2HI/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37;;/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 220n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111775
PNG
(CHEMBL3605360)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C32H36N4.2HI/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36;;/h7-10,13-18,21-24H,3-6,11-12,19-20H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 250n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/s2
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n/an/a 270n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 289n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of BChE in equine serum using butyrylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111781
PNG
(CHEMBL3605366)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
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n/an/a 320n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111772
PNG
(CHEMBL3605357)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
Show InChI InChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
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n/an/a 360n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
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n/an/a 473n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111783
PNG
(CHEMBL3605368)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C32H42N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-16H,3-6,11-12,17-24H2,1-2H3
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n/an/a 510n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111782
PNG
(CHEMBL3605367)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C31H40N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-15H,3-5,10-11,16-23H2,1-2H3
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n/an/a 650n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111783
PNG
(CHEMBL3605368)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C32H42N4/c1-33-21-17-31-27(23-33)25-13-7-9-15-29(25)35(31)19-11-5-3-4-6-12-20-36-30-16-10-8-14-26(30)28-24-34(2)22-18-32(28)36/h7-10,13-16H,3-6,11-12,17-24H2,1-2H3
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n/an/a 690n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 753n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide substrate by Ellman assay


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111782
PNG
(CHEMBL3605367)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C31H40N4/c1-32-20-16-30-26(22-32)24-12-6-8-14-28(24)34(30)18-10-4-3-5-11-19-35-29-15-9-7-13-25(29)27-23-33(2)21-17-31(27)35/h6-9,12-15H,3-5,10-11,16-23H2,1-2H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
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n/an/a 1.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111772
PNG
(CHEMBL3605357)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4ccncc4c4cc(OC)ccc34)c3ccncc3c2c1
Show InChI InChI=1S/C33H36N4O2/c1-38-24-10-12-30-26(20-24)28-22-34-16-14-32(28)36(30)18-8-6-4-3-5-7-9-19-37-31-13-11-25(39-2)21-27(31)29-23-35-17-15-33(29)37/h10-17,20-23H,3-9,18-19H2,1-2H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C29H28N4/c1(2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32)3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33/h4-7,10-17,20-21H,1-3,8-9,18-19H2
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n/an/a 1.60E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C30H32N4.2HI/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34;;/h5-8,11-16,19-22H,3-4,9-10,17-18H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 1.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50317179
PNG
(2-Methyl-9-[9-(2-methyl-beta-carboline-9-yl)nonyl]...)
Show SMILES C[n+]1ccc2c(c1)n(CCCCCCCCCn1c3ccccc3c3cc[n+](C)cc13)c1ccccc21
Show InChI InChI=1S/C33H38N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-19,22-25H,3-7,12-13,20-21H2,1-2H3/q+2
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n/an/a 2.70E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111778
PNG
(CHEMBL3605363)
Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4.2HI/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39;;/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111777
PNG
(CHEMBL3605362)
Show SMILES [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39;;/h12-17,20-25H,5-11,18-19H2,1-4H3;2*1H/q+2;;/p-2
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111784
PNG
(CHEMBL3605369)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C33H44N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111784
PNG
(CHEMBL3605369)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C33H44N4/c1-34-22-18-32-28(24-34)26-14-8-10-16-30(26)36(32)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-25-35(2)23-19-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a 3.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111781
PNG
(CHEMBL3605366)
Show SMILES CN1CCc2c(C1)c1ccccc1n2CCCCCCn1c2CCN(C)Cc2c2ccccc12
Show InChI InChI=1S/C30H38N4/c1-31-19-15-29-25(21-31)23-11-5-7-13-27(23)33(29)17-9-3-4-10-18-34-28-14-8-6-12-24(28)26-22-32(2)20-16-30(26)34/h5-8,11-14H,3-4,9-10,15-22H2,1-2H3
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n/an/a 4.50E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-23-33-19-17-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111777
PNG
(CHEMBL3605362)
Show SMILES [I-].[I-].COc1ccc2n(CCCCCCCCCn3c4ccc(OC)cc4c4c[n+](C)ccc34)c3cc[n+](C)cc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39;;/h12-17,20-25H,5-11,18-19H2,1-4H3;2*1H/q+2;;/p-2
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111785
PNG
(CHEMBL3605370)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C35H48N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-15,22-23H,5-11,16-21,24-25H2,1-4H3
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n/an/a 6.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111778
PNG
(CHEMBL3605363)
Show SMILES [I-].[I-].CC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4.2HI/c1-3-36-24-20-34-30(26-36)28-16-10-12-18-32(28)38(34)22-14-8-6-5-7-9-15-23-39-33-19-13-11-17-29(33)31-27-37(4-2)25-21-35(31)39;;/h10-13,16-21,24-27H,3-9,14-15,22-23H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 7.30E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111785
PNG
(CHEMBL3605370)
Show SMILES COc1ccc2n(CCCCCCCCCn3c4CCN(C)Cc4c4cc(OC)ccc34)c3CCN(C)Cc3c2c1
Show InChI InChI=1S/C35H48N4O2/c1-36-20-16-34-30(24-36)28-22-26(40-3)12-14-32(28)38(34)18-10-8-6-5-7-9-11-19-39-33-15-13-27(41-4)23-29(33)31-25-37(2)21-17-35(31)39/h12-15,22-23H,5-11,16-21,24-25H2,1-4H3
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C30H30N4/c1(3-9-19-33-27-13-7-5-11-23(27)25-21-31-17-15-29(25)33)2-4-10-20-34-28-14-8-6-12-24(28)26-22-32-18-16-30(26)34/h5-8,11-18,21-22H,1-4,9-10,19-20H2
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111779
PNG
(CHEMBL3605364)
Show SMILES [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39;;/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2;2*1H/q+2;;/p-2
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n/an/a 1.46E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111780
PNG
(CHEMBL3605365)
Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C37H46N4.2HI/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41;;/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 2.08E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111780
PNG
(CHEMBL3605365)
Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C37H46N4.2HI/c1-3-22-38-26-20-36-32(28-38)30-16-10-12-18-34(30)40(36)24-14-8-6-5-7-9-15-25-41-35-19-13-11-17-31(35)33-29-39(23-4-2)27-21-37(33)41;;/h10-13,16-21,26-29H,3-9,14-15,22-25H2,1-2H3;2*1H/q+2;;/p-2
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n/an/a 2.25E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50111779
PNG
(CHEMBL3605364)
Show SMILES [I-].[I-].OCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCO)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C35H42N4O2.2HI/c40-24-22-36-20-16-34-30(26-36)28-12-6-8-14-32(28)38(34)18-10-4-2-1-3-5-11-19-39-33-15-9-7-13-29(33)31-27-37(23-25-41)21-17-35(31)39;;/h6-9,12-17,20-21,26-27,40-41H,1-5,10-11,18-19,22-25H2;2*1H/q+2;;/p-2
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n/an/a 2.31E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM15579
PNG
(CHEMBL972 | DEPRENYL | L-Deprenyl | N-methyl-N-[(2...)
Show SMILES C[C@H](Cc1ccccc1)N(C)CC#C
Show InChI InChI=1/C13H17N/c1-4-10-14(3)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-/s2
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n/an/a 4.79E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
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
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n/an/a 5.43E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50111768
PNG
(CHEMBL3605353)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H26N4/c1(7-17-31-25-11-5-3-9-21(25)23-19-29-15-13-27(23)31)2-8-18-32-26-12-6-4-10-22(26)24-20-30-16-14-28(24)32/h3-6,9-16,19-20H,1-2,7-8,17-18H2
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n/an/a 6.73E+4n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50317193
PNG
(2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-ca...)
Show SMILES CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
Show InChI InChI=1S/C33H44N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50317193
PNG
(2-Methyl-9-[9-(2-methyl-1,2,3,4-tetrahydro-beta-ca...)
Show SMILES CN1CCc2c(C1)n(CCCCCCCCCn1c3CN(C)CCc3c3ccccc13)c1ccccc21
Show InChI InChI=1S/C33H44N4/c1-34-22-18-28-26-14-8-10-16-30(26)36(32(28)24-34)20-12-6-4-3-5-7-13-21-37-31-17-11-9-15-27(31)29-19-23-35(2)25-33(29)37/h8-11,14-17H,3-7,12-13,18-25H2,1-2H3
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50317203
PNG
(9-[9-(beta-Carboline-9-yl)nonyl]-beta-carboline | ...)
Show SMILES C(CCCCn1c2ccccc2c2ccncc12)CCCCn1c2ccccc2c2ccncc12
Show InChI InChI=1S/C31H32N4/c1(2-4-10-20-34-28-14-8-6-12-24(28)26-16-18-32-22-30(26)34)3-5-11-21-35-29-15-9-7-13-25(29)27-17-19-33-23-31(27)35/h6-9,12-19,22-23H,1-5,10-11,20-21H2
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n/an/a>1.50E+5n/an/an/an/an/an/a



University of Jena

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB


J Med Chem 58: 6710-5 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00958
BindingDB Entry DOI: 10.7270/Q2QZ2CRZ
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%