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PubMed code 2296014

Compile data set for download or QSAR
Found 42 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
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014651
PNG
(2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...)
Show SMILES CN1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
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1.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014661
PNG
(6,7,8-Trimethoxy-1-methyl-3,4-dihydro-isoquinoline...)
Show SMILES COc1cc2CCN=C(C)c2c(OC)c1OC
Show InChI InChI=1S/C13H17NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7H,5-6H2,1-4H3
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014633
PNG
(6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-isoq...)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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2.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014656
PNG
(6,7-Dimethoxy-1-methyl-3,4-dihydro-isoquinoline | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1OC
Show InChI InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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4.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014636
PNG
(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN[C@H](C)c2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014649
PNG
(6,7-Dimethoxy-2-methyl-3,4-dihydro-isoquinolinium;...)
Show SMILES COc1cc2CC[N+](C)=Cc2cc1OC
Show InChI InChI=1S/C12H16NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-8H,4-5H2,1-3H3/q+1
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6.00E+3n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014664
PNG
(5,6,7,8-Tetramethoxy-1-methyl-3,4-dihydro-isoquino...)
Show SMILES COc1c2CCN=C(C)c2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H19NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H2,1-5H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014639
PNG
(6-Methoxy-1-methyl-3,4-dihydro-isoquinolin-7-ol | ...)
Show SMILES COc1cc2CCN=C(C)c2cc1O
Show InChI InChI=1S/C11H13NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
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1.30E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014638
PNG
(6-Methoxy-2-methyl-3,4-dihydro-isoquinolinium; iod...)
Show SMILES COc1ccc2C=[N+](C)CCc2c1
Show InChI InChI=1S/C11H14NO/c1-12-6-5-9-7-11(13-2)4-3-10(9)8-12/h3-4,7-8H,5-6H2,1-2H3/q+1
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1.50E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014637
PNG
(5,6,7,8-Tetramethoxy-1-methyl-isoquinoline; hydroc...)
Show SMILES COc1c(OC)c(OC)c2c(C)nccc2c1OC
Show InChI InChI=1S/C14H17NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h6-7H,1-5H3
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1.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014651
PNG
(2-Methyl-1,2,3,4-tetrahydro-isoquinoline | 2-Methy...)
Show SMILES CN1CCc2ccccc2C1
Show InChI InChI=1S/C10H13N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5H,6-8H2,1H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compound was tested for inhibition against human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014648
PNG
(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN(C)Cc2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-13-5-4-9-6-11(14-2)12(15-3)7-10(9)8-13/h6-7H,4-5,8H2,1-3H3
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2.90E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014640
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...)
Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
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3.10E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014657
PNG
(6-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2CCNC(C)c2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-10(13)11(14-2)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3
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3.40E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014662
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CC1N(C)CCc2cc(O)c(O)cc12
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14)10(13)5-8(9)3-4-12(7)2/h5-7,13-14H,3-4H2,1-2H3
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3.60E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014654
PNG
(5,6,7,8-Tetramethoxy-1-methyl-isoquinoline; hydroc...)
Show SMILES COc1cc2ccncc2c(OC)c1OC
Show InChI InChI=1S/C12H13NO3/c1-14-10-6-8-4-5-13-7-9(8)11(15-2)12(10)16-3/h4-7H,1-3H3
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4.10E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014634
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@H](C)N(C)CCc2cc1O
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m0/s1
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7.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014644
PNG
(2-Methyl-3,4-dihydro-isoquinolinium; iodide | CHEM...)
Show SMILES C[N+]1=Cc2ccccc2CC1
Show InChI InChI=1S/C10H12N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3/q+1
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7.60E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014641
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@@H](C)NCCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m1/s1
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7.70E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014660
PNG
(7-Methoxy-1-methyl-3,4-dihydro-isoquinolin-6-ol; h...)
Show SMILES COc1cc2C(C)=NCCc2cc1O
Show InChI InChI=1S/C11H13NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-6,13H,3-4H2,1-2H3
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8.00E+4n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50367917
PNG
(CHEMBL454315)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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1.02E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014644
PNG
(2-Methyl-3,4-dihydro-isoquinolinium; iodide | CHEM...)
Show SMILES C[N+]1=Cc2ccccc2CC1
Show InChI InChI=1S/C10H12N/c1-11-7-6-9-4-2-3-5-10(9)8-11/h2-5,8H,6-7H2,1H3/q+1
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014646
PNG
(1-Methyl-isoquinoline-6,7-diol; hydrobromide | CHE...)
Show SMILES Cc1nccc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H9NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h2-5,12-13H,1H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014645
PNG
(7-Methoxy-1-methyl-isoquinolin-6-ol | 7-Methoxy-1-...)
Show SMILES COc1cc2c(C)nccc2cc1O
Show InChI InChI=1S/C11H11NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h3-6,13H,1-2H3
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1.30E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50014645
PNG
(7-Methoxy-1-methyl-isoquinolin-6-ol | 7-Methoxy-1-...)
Show SMILES COc1cc2c(C)nccc2cc1O
Show InChI InChI=1S/C11H11NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h3-6,13H,1-2H3
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1.50E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50367918
PNG
(CHEMBL510708)
Show SMILES COc1cc2[C@H](C)NCCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-7-9-6-11(14-2)10(13)5-8(9)3-4-12-7/h5-7,12-13H,3-4H2,1-2H3/t7-/m0/s1
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1.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014643
PNG
(6,7,8-Trimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1cc2CCN(C)C(C)c2c(OC)c1OC
Show InChI InChI=1S/C14H21NO3/c1-9-12-10(6-7-15(9)2)8-11(16-3)13(17-4)14(12)18-5/h8-9H,6-7H2,1-5H3
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1.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014642
PNG
(6,7,8-Trimethoxy-1-methyl-1,2,3,4-tetrahydro-isoqu...)
Show SMILES COc1cc2CCNC(C)c2c(OC)c1OC
Show InChI InChI=1S/C13H19NO3/c1-8-11-9(5-6-14-8)7-10(15-2)12(16-3)13(11)17-4/h7-8,14H,5-6H2,1-4H3
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1.70E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50014636
PNG
(6,7-Dimethoxy-1-methyl-1,2,3,4-tetrahydro-isoquino...)
Show SMILES COc1cc2CCN[C@H](C)c2cc1OC
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m1/s1
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1.86E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of rat liver dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM13016
PNG
(1,2,3,4-tetrahydroisoquinoline | CHEMBL14346 | THI...)
Show SMILES C1Cc2ccccc2CN1
Show InChI InChI=1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2
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2.10E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014650
PNG
(5,6,7,8-Tetramethoxy-2-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-15-7-6-9-10(8-15)12(17-3)14(19-5)13(18-4)11(9)16-2/h6-8H2,1-5H3
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2.60E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Monoamine oxidase


(Homo sapiens (Human))
BDBM50014640
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol;...)
Show SMILES C[C@H]1NCCc2cc(O)c(O)cc12
Show InChI InChI=1S/C10H13NO2/c1-6-8-5-10(13)9(12)4-7(8)2-3-11-6/h4-6,11-13H,2-3H2,1H3/t6-/m1/s1
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2.84E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
In vitro inhibition of Escherichia coli dihydrofolate reductase.


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014655
PNG
(5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES COc1c2CCNCc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C13H19NO4/c1-15-10-8-5-6-14-7-9(8)11(16-2)13(18-4)12(10)17-3/h14H,5-7H2,1-4H3
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5.80E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014655
PNG
(5,6,7,8-Tetramethoxy-1,2,3,4-tetrahydro-isoquinoli...)
Show SMILES COc1c2CCNCc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C13H19NO4/c1-15-10-8-5-6-14-7-9(8)11(16-2)13(18-4)12(10)17-3/h14H,5-7H2,1-4H3
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7.00E+5n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human placental Monoamine oxidase A (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014652
PNG
(5,6,7,8-Tetramethoxy-1-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCNC(C)c2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-8-10-9(6-7-15-8)11(16-2)13(18-4)14(19-5)12(10)17-3/h8,15H,6-7H2,1-5H3
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1.00E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] A


(Homo sapiens (Human))
BDBM50014647
PNG
(1,2-Dimethyl-1,2,3,4-tetrahydro-isoquinoline-6,7-d...)
Show SMILES CN1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c1-11-3-2-7-4-9(12)10(13)5-8(7)6-11/h4-5,12-13H,2-3,6H2,1H3
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1.30E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Inhibition of human placental Monoamine oxidase A (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50367917
PNG
(CHEMBL454315)
Show SMILES COc1cc2CCN(C)[C@@H](C)c2cc1OC
Show InChI InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3/t9-/m0/s1
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1.60E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (mixed inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014650
PNG
(5,6,7,8-Tetramethoxy-2-methyl-1,2,3,4-tetrahydro-i...)
Show SMILES COc1c2CCN(C)Cc2c(OC)c(OC)c1OC
Show InChI InChI=1S/C14H21NO4/c1-15-7-6-9-10(8-15)12(17-3)14(19-5)13(18-4)11(9)16-2/h6-8H2,1-5H3
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1.90E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
Amine oxidase [flavin-containing] B


(Homo sapiens (Human))
BDBM50014634
PNG
(7-Methoxy-1-methyl-1,2,3,4-tetrahydro-isoquinolin-...)
Show SMILES COc1cc2[C@H](C)N(C)CCc2cc1O
Show InChI InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14)6-9(10)4-5-13(8)2/h6-8,14H,4-5H2,1-3H3/t8-/m0/s1
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2.30E+6n/an/an/an/an/an/an/an/a



University of Texas

Curated by ChEMBL


Assay Description
Compounds were tested for inhibition against human liver Monoamine oxidase B (competitive inhibition was observed)


J Med Chem 33: 147-52 (1990)


Article DOI: 10.1021/jm00163a025
BindingDB Entry DOI: 10.7270/Q26110X9
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%