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Compile Data Set for Download or QSAR

Found 90 hits with Last Name = 'adolph' and Initial = 'o'   
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/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1
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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/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
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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/C28H38N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-24,26-27,33,35-36H,1-5,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111780
PNG
(CHEMBL3605365)
Show SMILES [I-].[I-].CCC[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](CCC)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C22H31N5O8/c23-10-15-18(30)19(31)21(34-15)35-16(11-25-7-3-12-1-5-24-6-2-12)14-9-13(28)20(33-14)27-8-4-17(29)26-22(27)32/h1-2,4-6,8,13-16,18-21,25,28,30-31H,3,7,9-11,23H2,(H,26,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
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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/C28H39N5O9/c29-13-20-23(36)24(37)26(41-20)42-21(19-12-18(34)25(40-19)33-11-10-22(35)32-28(33)39)14-30-27(38)31-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-26,34,36-37H,1-5,12-14,29H2,(H2,30,31,38)(H,32,35,39)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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
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/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
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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/C29H52N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-31-19-23(41-28-26(37)25(36)22(18-30)40-28)21-17-20(34)27(39-21)33-16-14-24(35)32-29(33)38/h14,16,20-23,25-28,31,34,36-37H,2-13,15,17-19,30H2,1H3,(H,32,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
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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/C27H38N4O8/c28-14-20-23(34)24(35)26(38-20)39-21(15-30-9-6-17(7-10-30)12-16-4-2-1-3-5-16)19-13-18(32)25(37-19)31-11-8-22(33)29-27(31)36/h1-5,8,11,17-21,23-26,32,34-35H,6-7,9-10,12-15,28H2,(H,29,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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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/C22H37N5O8/c1-26-7-2-3-12(26)4-6-24-11-16(35-21-19(31)18(30)15(10-23)34-21)14-9-13(28)20(33-14)27-8-5-17(29)25-22(27)32/h5,8,12-16,18-21,24,28,30-31H,2-4,6-7,9-11,23H2,1H3,(H,25,29,32)/t12?,13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
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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))
BDBM50111771
PNG
(CHEMBL3605356)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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))
BDBM50111773
PNG
(CHEMBL3605358)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
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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
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50111770
PNG
(CHEMBL3605355)
Show SMILES C(CCCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C23H31ClN4O8/c24-13-3-1-12(2-4-13)5-7-26-11-17(36-22-20(32)19(31)16(10-25)35-22)15-9-14(29)21(34-15)28-8-6-18(30)27-23(28)33/h1-4,6,8,14-17,19-22,26,29,31-32H,5,7,9-11,25H2,(H,27,30,33)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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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
Butyrylcholinesterase (BuChE)


(Equus caballus (Horse))
BDBM50111776
PNG
(CHEMBL3605361)
Show SMILES [I-].[I-].C[n+]1ccc2n(CCCCCCCCCn3c4ccccc4c4c[n+](C)ccc34)c3ccccc3c2c1
Show InChI InChI=1S/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1
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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))
BDBM50111769
PNG
(CHEMBL3605354)
Show SMILES C(CCCn1c2ccccc2c2cnccc12)CCCn1c2ccccc2c2cnccc12
Show InChI InChI=1S/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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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))
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/C29H36N4O8/c1-32(15-17-7-9-19(10-8-17)18-5-3-2-4-6-18)16-23(41-28-26(37)25(36)22(14-30)40-28)21-13-20(34)27(39-21)33-12-11-24(35)31-29(33)38/h2-12,20-23,25-28,34,36-37H,13-16,30H2,1H3,(H,31,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
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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/C28H38N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-24,26-27,33,35-36H,1-5,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C27H32N4O9/c28-13-20-23(34)24(35)26(39-20)40-21(19-12-18(32)25(38-19)31-11-10-22(33)30-27(31)36)14-29-15-6-8-17(9-7-15)37-16-4-2-1-3-5-16/h1-11,18-21,23-26,29,32,34-35H,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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/C24H31F3N4O8/c25-24(26,27)13-3-1-2-12(8-13)4-6-29-11-17(39-22-20(35)19(34)16(10-28)38-22)15-9-14(32)21(37-15)31-7-5-18(33)30-23(31)36/h1-3,5,7-8,14-17,19-22,29,32,34-35H,4,6,9-11,28H2,(H,30,33,36)/t14-,15+,16-,17+,19-,20-,21-,22+/m1/s1
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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/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C27H32N4O9/c28-13-20-23(34)24(35)26(39-20)40-21(19-12-18(32)25(38-19)31-11-10-22(33)30-27(31)36)14-29-15-6-8-17(9-7-15)37-16-4-2-1-3-5-16/h1-11,18-21,23-26,29,32,34-35H,12-14,28H2,(H,30,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-10-9-22(34)31-28(32)38)14-30-25(37)15-5-4-8-17(11-15)39-16-6-2-1-3-7-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C28H32N4O10/c29-13-20-23(35)24(36)27(41-20)42-21(19-12-18(33)26(40-19)32-11-10-22(34)31-28(32)38)14-30-25(37)15-6-8-17(9-7-15)39-16-4-2-1-3-5-16/h1-11,18-21,23-24,26-27,33,35-36H,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C27H38N4O8/c28-14-20-23(34)24(35)26(38-20)39-21(15-30-9-6-17(7-10-30)12-16-4-2-1-3-5-16)19-13-18(32)25(37-19)31-11-8-22(33)29-27(31)36/h1-5,8,11,17-21,23-26,32,34-35H,6-7,9-10,12-15,28H2,(H,29,33,36)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
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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/C28H39N5O9/c29-13-20-23(36)24(37)26(41-20)42-21(19-12-18(34)25(40-19)33-11-10-22(35)32-28(33)39)14-30-27(38)31-17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-26,34,36-37H,1-5,12-14,29H2,(H2,30,31,38)(H,32,35,39)/t18-,19+,20-,21+,23-,24-,25-,26+/m1/s1
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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/C25H44N4O8/c1-3-5-7-10-28(11-8-6-4-2)15-19(37-24-22(33)21(32)18(14-26)36-24)17-13-16(30)23(35-17)29-12-9-20(31)27-25(29)34/h9,12,16-19,21-24,30,32-33H,3-8,10-11,13-15,26H2,1-2H3,(H,27,31,34)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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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/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
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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/C29H36N4O8/c1-32(15-17-7-9-19(10-8-17)18-5-3-2-4-6-18)16-23(41-28-26(37)25(36)22(14-30)40-28)21-13-20(34)27(39-21)33-12-11-24(35)31-29(33)38/h2-12,20-23,25-28,34,36-37H,13-16,30H2,1H3,(H,31,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
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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/C22H31N5O8/c23-10-15-18(30)19(31)21(34-15)35-16(11-25-7-3-12-1-5-24-6-2-12)14-9-13(28)20(33-14)27-8-4-17(29)26-22(27)32/h1-2,4-6,8,13-16,18-21,25,28,30-31H,3,7,9-11,23H2,(H,26,29,32)/t13-,14+,15-,16+,18-,19-,20-,21+/m1/s1
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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/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1
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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/C28H38N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-24,26-27,33,35-36H,1-5,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1
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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/C20H34N4O8/c1-2-3-4-6-22-10-14(32-19-17(28)16(27)13(9-21)31-19)12-8-11(25)18(30-12)24-7-5-15(26)23-20(24)29/h5,7,11-14,16-19,22,25,27-28H,2-4,6,8-10,21H2,1H3,(H,23,26,29)/t11-,12+,13-,14+,16-,17-,18-,19+/m1/s1
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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/C29H52N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-31-19-23(41-28-26(37)25(36)22(18-30)40-28)21-17-20(34)27(39-21)33-16-14-24(35)32-29(33)38/h14,16,20-23,25-28,31,34,36-37H,2-13,15,17-19,30H2,1H3,(H,32,35,38)/t20-,21+,22-,23+,25-,26-,27-,28+/m1/s1
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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/C25H44N6O8/c1-3-28(4-2)7-8-29-9-11-30(12-10-29)15-19(39-24-22(35)21(34)18(14-26)38-24)17-13-16(32)23(37-17)31-6-5-20(33)27-25(31)36/h5-6,16-19,21-24,32,34-35H,3-4,7-15,26H2,1-2H3,(H,27,33,36)/t16-,17+,18-,19+,21-,22-,23-,24+/m1/s1
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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/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
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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/C21H35N5O8/c1-25-5-2-3-11(25)9-23-10-15(34-20-18(30)17(29)14(8-22)33-20)13-7-12(27)19(32-13)26-6-4-16(28)24-21(26)31/h4,6,11-15,17-20,23,27,29-30H,2-3,5,7-10,22H2,1H3,(H,24,28,31)/t11?,12-,13+,14-,15+,17-,18-,19-,20+/m1/s1
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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/C24H34N4O9/c1-27(11-13-3-5-14(34-2)6-4-13)12-18(37-23-21(32)20(31)17(10-25)36-23)16-9-15(29)22(35-16)28-8-7-19(30)26-24(28)33/h3-8,15-18,20-23,29,31-32H,9-12,25H2,1-2H3,(H,26,30,33)/t15-,16+,17-,18+,20-,21-,22-,23+/m1/s1
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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/C29H34N4O10/c30-13-21-24(36)25(37)28(42-21)43-22(20-12-19(34)27(41-20)33-11-10-23(35)32-29(33)39)14-31-26(38)17-6-8-18(9-7-17)40-15-16-4-2-1-3-5-16/h1-11,19-22,24-25,27-28,34,36-37H,12-15,30H2,(H,31,38)(H,32,35,39)/t19-,20+,21-,22+,24-,25-,27-,28+/m1/s1
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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/C28H38N4O9/c29-13-20-23(35)24(36)27(40-20)41-21(19-12-18(33)26(39-19)32-11-10-22(34)31-28(32)38)14-30-25(37)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h6-11,15,18-21,23-24,26-27,33,35-36H,1-5,12-14,29H2,(H,30,37)(H,31,34,38)/t18-,19+,20-,21+,23-,24-,26-,27+/m1/s1
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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=1S/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-/m1/s1
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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
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