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SMILES: Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12

InChI Key: InChIKey=HKIDXMKKZYHFEM-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50532731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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1.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using S-acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured fo...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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1.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Mixed-type inhibition of electric eel AChE using S-acetylthiocholine as substrate preincubated for 20 mins followed by substrate addition measured fo...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 3.84E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 2.81E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 195n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 3.41E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 8.08E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 780n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
PDB

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n/an/a 3.41E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 8.08E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 3.84E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
PDB

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n/an/a 2.81E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOA expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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antibodypedia
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n/an/a 30n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 1.03E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
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n/an/a 2.91E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
PDB

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antibodypedia
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n/an/a 195n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of human recombinant MAOB expressed in microsomes of baculovirus-infected insect cell using kynuramine as substrate preincubated for 20 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Electrophorus electricus (Electric eel))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
UniProtKB/SwissProt

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n/an/a 1.80E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 mi...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair
Cholinesterase


(Equus caballus (Horse))
BDBM50532731
PNG
(CHEMBL4571763)
Show SMILES Cc1c(C)c(=O)oc2cc(OCC3CCCN(Cc4ccccc4)C3)ccc12
Show InChI InChI=1S/C24H27NO3/c1-17-18(2)24(26)28-23-13-21(10-11-22(17)23)27-16-20-9-6-12-25(15-20)14-19-7-4-3-5-8-19/h3-5,7-8,10-11,13,20H,6,9,12,14-16H2,1-2H3
PDB

UniProtKB/SwissProt

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UniChem
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n/an/a 2.91E+3n/an/an/an/an/an/a



Universit£ degli Studi di Bari "Aldo Moro"

Curated by ChEMBL


Assay Description
Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured for 5 m...


J Med Chem 59: 6791-806 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00562
More data for this
Ligand-Target Pair