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Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 2523   
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
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261741
PNG
(US10233178, Example 1 | US9708309, 1)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
Show InChI InChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m1/s1
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50n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM369812
PNG
(5-(((trans)-2-(4-(benzyloxy)phenyl)cyclopropylamin...)
Show SMILES Cl.Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
Show InChI InChI=1S/C20H21N3OS.ClH/c21-20-23-12-17(25-20)11-22-19-10-18(19)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14;/h1-9,12,18-19,22H,10-11,13H2,(H2,21,23);1H/t18-,19+;/m1./s1
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50n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261743
PNG
(US10233178, Example 10 | US9708309, 10)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
Show InChI InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m1/s1
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300n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261748
PNG
(US10233178, Example 15 | US9708309, 15)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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300n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261741
PNG
(US10233178, Example 1 | US9708309, 1)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
Show InChI InChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m1/s1
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Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261748
PNG
(US10233178, Example 15 | US9708309, 15)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261747
PNG
(US10233178, Example 14 | US9708309, 14)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261747
PNG
(US10233178, Example 14 | US9708309, 14)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261746
PNG
(US10233178, Example 13 | US9708309, 13)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H18F2N4O2/c20-13-5-11(6-14(21)7-13)10-26-15-3-1-12(2-4-15)16-8-17(16)23-9-18-24-25-19(22)27-18/h1-7,16-17,23H,8-10H2,(H2,22,25)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261746
PNG
(US10233178, Example 13 | US9708309, 13)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H18F2N4O2/c20-13-5-11(6-14(21)7-13)10-26-15-3-1-12(2-4-15)16-8-17(16)23-9-18-24-25-19(22)27-18/h1-7,16-17,23H,8-10H2,(H2,22,25)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261745
PNG
(US10233178, Example 12 | US9708309, 12)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261745
PNG
(US10233178, Example 12 | US9708309, 12)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM261744
PNG
(US10233178, Example 11 | US9708309, 11)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261743
PNG
(US10233178, Example 10 | US9708309, 10)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
Show InChI InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM261744
PNG
(US10233178, Example 11 | US9708309, 11)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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550n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261745
PNG
(US10233178, Example 12 | US9708309, 12)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261746
PNG
(US10233178, Example 13 | US9708309, 13)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cc(F)cc(F)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H18F2N4O2/c20-13-5-11(6-14(21)7-13)10-26-15-3-1-12(2-4-15)16-8-17(16)23-9-18-24-25-19(22)27-18/h1-7,16-17,23H,8-10H2,(H2,22,25)/t16-,17+/m1/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261748
PNG
(US10233178, Example 15 | US9708309, 15)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3cccc(Cl)c3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-3-1-2-12(8-14)11-25-15-6-4-13(5-7-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261744
PNG
(US10233178, Example 11 | US9708309, 11)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(F)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19FN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM369812
PNG
(5-(((trans)-2-(4-(benzyloxy)phenyl)cyclopropylamin...)
Show SMILES Cl.Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
Show InChI InChI=1S/C20H21N3OS.ClH/c21-20-23-12-17(25-20)11-22-19-10-18(19)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14;/h1-9,12,18-19,22H,10-11,13H2,(H2,21,23);1H/t18-,19+;/m1./s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261747
PNG
(US10233178, Example 14 | US9708309, 14)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccc(Cl)cc3)cc2)o1 |r|
Show InChI InChI=1S/C19H19ClN4O2/c20-14-5-1-12(2-6-14)11-25-15-7-3-13(4-8-15)16-9-17(16)22-10-18-23-24-19(21)26-18/h1-8,16-17,22H,9-11H2,(H2,21,24)/t16-,17+/m1/s1
PDB

UniProtKB/SwissProt

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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261743
PNG
(US10233178, Example 10 | US9708309, 10)
Show SMILES Nc1nnc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)o1 |r|
Show InChI InChI=1S/C19H20N4O2/c20-19-23-22-18(25-19)11-21-17-10-16(17)14-6-8-15(9-7-14)24-12-13-4-2-1-3-5-13/h1-9,16-17,21H,10-12H2,(H2,20,23)/t16-,17+/m1/s1
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM369812
PNG
(5-(((trans)-2-(4-(benzyloxy)phenyl)cyclopropylamin...)
Show SMILES Cl.Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)s1 |r|
Show InChI InChI=1S/C20H21N3OS.ClH/c21-20-23-12-17(25-20)11-22-19-10-18(19)15-6-8-16(9-7-15)24-13-14-4-2-1-3-5-14;/h1-9,12,18-19,22H,10-11,13H2,(H2,21,23);1H/t18-,19+;/m1./s1
PDB

UniProtKB/SwissProt

antibodypedia
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2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM261741
PNG
(US10233178, Example 1 | US9708309, 1)
Show SMILES Nc1ncc(CN[C@H]2C[C@@H]2c2ccc(OCc3ccccc3)cc2)cn1 |r|
Show InChI InChI=1S/C21H22N4O/c22-21-24-12-16(13-25-21)11-23-20-10-19(20)17-6-8-18(9-7-17)26-14-15-4-2-1-3-5-15/h1-9,12-13,19-20,23H,10-11,14H2,(H2,22,24,25)/t19-,20+/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
2.05E+4n/an/an/an/an/an/an/an/a



Merck Serono



Assay Description
Human recombinant monoamine oxidase proteins MAO-A and MAO-B were purchased from Sigma Aldrich. MAOs catalyze the oxidative deamination of primary, s...


J Med Chem 51: 2227-2243 (2008)


BindingDB Entry DOI: 10.7270/Q2V69MWZ
More data for this
Ligand-Target Pair