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Compile Data Set for Download or QSAR

Found 18 hits of ic50 for monomerid = 50281388   
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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 78n/an/an/an/an/an/a



IQOG, CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-B using tyramine as substrate ampliflu red dye based fluorescence assay


J Med Chem 61: 6937-6943 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00848
BindingDB Entry DOI: 10.7270/Q2QN699Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 78n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human MAOB


Eur J Med Chem 180: 690-706 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.040
BindingDB Entry DOI: 10.7270/Q2222Z25
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 78n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 78n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human MAOB


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 145n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate preincubated for 30 mins follow...


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 145n/an/an/an/an/an/a



IQOG, CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAO-A using tyramine as substrate ampliflu red dye based fluorescence assay


J Med Chem 61: 6937-6943 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00848
BindingDB Entry DOI: 10.7270/Q2QN699Q
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 145n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Eur J Med Chem 180: 690-706 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.040
BindingDB Entry DOI: 10.7270/Q2222Z25
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 145n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human MAOA


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 530n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human acetylcholinesterase expressed in HEK 293 cells using acetylthiocholine iodide as substrate by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 530n/an/an/an/an/an/a



IQOG, CSIC

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AChE using acetylthiocholine iodide as substrate by Ellman's method


J Med Chem 61: 6937-6943 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00848
BindingDB Entry DOI: 10.7270/Q2QN699Q
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 530n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Eur J Med Chem 180: 690-706 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.040
BindingDB Entry DOI: 10.7270/Q2222Z25
More data for this
Ligand-Target Pair
Acetylcholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 530n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human AChE


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Julius Maximilian University of W£rzburg

Curated by ChEMBL


Assay Description
Inhibition of human BChE


Eur J Med Chem 180: 690-706 (2019)


Article DOI: 10.1016/j.ejmech.2019.07.040
BindingDB Entry DOI: 10.7270/Q2222Z25
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



IQOG, CSIC

Curated by ChEMBL


Assay Description
Inhibition of human plasma BuChE using acetylthiocholine iodide as substrate by Ellman's method


J Med Chem 61: 6937-6943 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00848
BindingDB Entry DOI: 10.7270/Q2QN699Q
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



Jagiellonian University Medical College

Curated by ChEMBL


Assay Description
Inhibition of human BuChE


Bioorg Med Chem Lett 28: 3596-3600 (2018)


Article DOI: 10.1016/j.bmcl.2018.10.048
BindingDB Entry DOI: 10.7270/Q26D5X88
More data for this
Ligand-Target Pair
Cholinesterase


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.69E+3n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human plasma butyrylcholinesterase by Ellman's method


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.85E+3n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOA expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50281388
PNG
(CHEMBL4173258)
Show SMILES CN(CC#C)Cc1cc2cc(OCCCN3CCCCC3)ccc2n1C
Show InChI InChI=1S/C22H31N3O/c1-4-11-23(2)18-20-16-19-17-21(9-10-22(19)24(20)3)26-15-8-14-25-12-6-5-7-13-25/h1,9-10,16-17H,5-8,11-15,18H2,2-3H3
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n/an/a 1.94E+3n/an/an/an/an/an/a



CSIR-Central Drug Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAOB expressed in baculovirus infected BTI insect cells using p-tyramine as substrate by Amplex red reagent/horseradi...


Bioorg Med Chem 27: 895-930 (2019)


Article DOI: 10.1016/j.bmc.2019.01.025
BindingDB Entry DOI: 10.7270/Q2N87F3N
More data for this
Ligand-Target Pair