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26 similar compounds to monomer 50396753

Compile data set for download or QSAR
Wt: 269.3
BDBM66643
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Wt: 283.3
BDBM75129
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Wt: 313.3
BDBM75211
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Wt: 193.2
BDBM50006639
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Wt: 193.2
BDBM50006640
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Wt: 191.2
BDBM50006638
Wt: 193.2
BDBM50014641
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Wt: 179.2
BDBM50014647
Wt: 207.2
BDBM50014648
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Wt: 193.2
BDBM50014657
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Wt: 221.2
BDBM50014633
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Wt: 207.2
BDBM50014634
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Wt: 207.2
BDBM50014636
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Wt: 163.2
BDBM50024840
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Wt: 163.2
BDBM50024841
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Displayed 1 to 15 (of 26 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 66643,75129,75211,50006639,50006640,50006638,50014641,50014647,50014648,50014657,50014633,50014634,50014636,50024840,50024841   
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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
PDB
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KEGG

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Article
PubMed
870n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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KEGG

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Article
PubMed
1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024840
PNG
(7-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.78E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
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
Adrenergic receptor alpha-2


(RAT-NEONATAL RAT-Rattus norvegicus (rat))
BDBM50024841
PNG
(6-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CNCCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
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2.88E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of [3H]clonidine binding to the rat alpha-2-adrenoceptor


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
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
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
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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6.80E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024840
PNG
(7-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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9.10E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-2 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta2 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024841
PNG
(6-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CNCCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.91E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


Bioorg Med Chem Lett 9: 481-6 (1999)


Article DOI: 10.1016/s0960-894x(99)00022-0
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024840
PNG
(7-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.


J Med Chem 30: 2208-16 (1988)


Article DOI: 10.1021/jm00395a006
BindingDB Entry DOI: 10.7270/Q2CC119N
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024840
PNG
(7-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CCNCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-8-4-5-11-7-9(8)6-10/h2-3,6,11H,4-5,7H2,1H3
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2.10E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against bovine adrenal phenylethanolamine N-methyl-transferase (PNMT)


J Med Chem 42: 118-34 (1999)


Article DOI: 10.1021/jm980429p
BindingDB Entry DOI: 10.7270/Q2K35VBN
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] 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 Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of MAOA (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
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] 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 Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of MAOB (unknown origin)


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
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
Sodium-dependent serotonin transporter


(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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4.67E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-serotonin from human SERT expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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5.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
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] 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
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
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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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
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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1.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(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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1.29E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from human NET expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024841
PNG
(6-Methoxy-1,2,3,4-tetrahydro-isoquinoline | CHEMBL...)
Show SMILES COc1ccc2CNCCc2c1
Show InChI InChI=1S/C10H13NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-3,6,11H,4-5,7H2,1H3
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1.69E+5n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
In vitro inhibition of bovine phenylethylamine N-methyl-transferase (PNMT) using radiochemical assay.


J Med Chem 30: 2208-16 (1988)


Article DOI: 10.1021/jm00395a006
BindingDB Entry DOI: 10.7270/Q2CC119N
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
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
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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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha3/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-4/beta-4 subunit


(Rattus norvegicus (Rat))
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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3.00E+5n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]epibatidine from rat alpha4/beta4 nAChR expressed in HEK293 cells


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
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))
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
Monoamine transporters; serotonin & dopamine


(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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>1.00E+7n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]-dopamine from human DAT expressed in African green monkey COS7 cells after 10 mins


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
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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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a 1.00E+6n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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n/an/a 3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor protein alpha-3/beta-4 subunit


(Rattus norvegicus (Rat))
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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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at rat alpha3/beta4 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane pot...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
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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n/an/a 1.60E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006640
PNG
(CHEMBL593001)
Show SMILES COc1cc2CCN(C)Cc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-6-11(14-2)10(13)5-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006639
PNG
(CHEMBL3235514)
Show SMILES COc1cc2CN(C)CCc2cc1O
Show InChI InChI=1S/C11H15NO2/c1-12-4-3-8-5-10(13)11(14-2)6-9(8)7-12/h5-6,13H,3-4,7H2,1-2H3
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
BDBM50006638
PNG
(CHEMBL2140445)
Show SMILES CN1CCc2cc3OCOc3cc2C1
Show InChI InChI=1S/C11H13NO2/c1-12-3-2-8-4-10-11(14-7-13-10)5-9(8)6-12/h4-5H,2-3,6-7H2,1H3
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KEGG

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PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit beta-2


(Mus musculus)
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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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at mouse alpha4/beta2 nAChR expressed in HEK293 cells assessed as inhibition of (S)-nicotine-induced activity by FLIPR membrane p...


J Med Chem 56: 9673-82 (2014)


Article DOI: 10.1021/jm4013592
BindingDB Entry DOI: 10.7270/Q2JS9RZK
More data for this
Ligand-Target Pair
G-protein subunit alpha-16


(Homo sapiens (Human))
BDBM66643
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methox...)
Show SMILES COc1cc(CN2CCc3ccccc3C2)ccc1O
Show InChI InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
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n/an/a>2.99E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q2QZ28KG
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM66643
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methox...)
Show SMILES COc1cc(CN2CCc3ccccc3C2)ccc1O
Show InChI InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
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n/an/an/an/a 3.20E+3n/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q24748HT
More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens (Human))
BDBM66643
PNG
(4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methox...)
Show SMILES COc1cc(CN2CCc3ccccc3C2)ccc1O
Show InChI InChI=1S/C17H19NO2/c1-20-17-10-13(6-7-16(17)19)11-18-9-8-14-4-2-3-5-15(14)12-18/h2-7,10,19H,8-9,11-12H2,1H3
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n/an/a 1.20E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q280517J
More data for this
Ligand-Target Pair
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