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14 similar compounds to monomer 50014647

Wt: 269.3
BDBM66643
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Wt: 283.3
BDBM75129
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Wt: 193.2
BDBM50006639
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Wt: 193.2
BDBM50006640
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Wt: 179.2
BDBM50014640
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Wt: 207.2
BDBM50014648
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Wt: 193.2
BDBM50014662
Wt: 149.1
BDBM50024822
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Wt: 149.1
BDBM50024826
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Wt: 165.1
BDBM50024831
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Wt: 179.2
BDBM50291684
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Wt: 343.4
BDBM50396752
Wt: 313.3
BDBM50396753
Wt: 179.2
BDBM50448443
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 44 hits for monomerid = 66643,75129,50006639,50006640,50014640,50014648,50014662,50024822,50024826,50024831,50291684,50396752,50396753,50448443   
Target
(Institution)
LigandTarget
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
MMDB

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)

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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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)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024826
PNG
(1,2,3,4-Tetrahydro-isoquinolin-7-ol | CHEMBL27730)
Show SMILES Oc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H11NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10-11H,3-4,6H2
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2.60E+3n/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)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024826
PNG
(1,2,3,4-Tetrahydro-isoquinolin-7-ol | CHEMBL27730)
Show SMILES Oc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H11NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10-11H,3-4,6H2
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2.60E+3n/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)

More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024826
PNG
(1,2,3,4-Tetrahydro-isoquinolin-7-ol | CHEMBL27730)
Show SMILES Oc1ccc2CCNCc2c1
Show InChI InChI=1S/C9H11NO/c11-9-2-1-7-3-4-10-6-8(7)5-9/h1-2,5,10-11H,3-4,6H2
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2.60E+3n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Phenylethanolamine N-methyltransferase (PNMT)


J Med Chem 40: 3997-4005 (1998)

More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50448443
PNG
(CHEMBL1195032)
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-/m0/s1
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Article
5.00E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Agonist activity at dopamine D2 receptor (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Dopamine receptor D2L/neurotensin receptor NTS1


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(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
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5.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Potency was measured by the displacement of [3H]spiperone binding to human D2 dopaminergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024831
PNG
(1,2,3,4-Tetrahydro-isoquinoline-6,7-diol | CHEMBL1...)
Show SMILES Oc1cc2CCNCc2cc1O
Show InChI InChI=1S/C9H11NO2/c11-8-3-6-1-2-10-5-7(6)4-9(8)12/h3-4,10-12H,1-2,5H2
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5.70E+3n/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)

More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50291684
PNG
(1-Methyl-1,2,3,4-tetrahydro-isoquinoline-6,7-diol ...)
Show SMILES CC1NCCc2cc(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
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6.40E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Potency was measured by the displacement of [3H]-spiperone binding to human D4 dopaminergic receptor


Citation and Details
More data for this
Ligand-Target Pair
Phenylethanolamine N-methyltransferase


(Bos taurus (bovine))
BDBM50024822
PNG
(1,2,3,4-Tetrahydro-isoquinolin-6-ol | CHEMBL310736)
Show SMILES Oc1ccc2CNCCc2c1
Show InChI InChI=1S/C9H11NO/c11-9-2-1-8-6-10-4-3-7(8)5-9/h1-2,5,10-11H,3-4,6H2
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7.80E+3n/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)

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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PubMed
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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

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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PubMed
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)

More data for this
Ligand-Target Pair
Monoamine oxidase


(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)

More data for this
Ligand-Target Pair
Serotonin and norepinephrine transporters (SERT/NET)


(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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PubMed
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)

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)

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)

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)

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


J Med Chem 33: 147-52 (1990)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Sodium-dependent dopamine 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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>1.00E+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)

More data for this
Ligand-Target Pair
XBP1


(Homo sapiens)
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 1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

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)

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)

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)

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)

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)

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)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens)
BDBM50396752
PNG
(CHEMBL2172350)
Show SMILES COc1ccc(CCN2CCc3cc(O)c(OC)cc3C2)cc1OC
Show InChI InChI=1S/C20H25NO4/c1-23-18-5-4-14(10-20(18)25-3)6-8-21-9-7-15-11-17(22)19(24-2)12-16(15)13-21/h4-5,10-12,22H,6-9,13H2,1-3H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
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>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2011)

More data for this
Ligand-Target Pair
Anti-estrogen binding site (AEBS)


(Homo sapiens)
BDBM50396753
PNG
(CHEMBL2172349)
Show SMILES COc1cccc(CCN2CCc3cc(O)c(OC)cc3C2)c1
Show InChI InChI=1S/C19H23NO3/c1-22-17-5-3-4-14(10-17)6-8-20-9-7-15-11-18(21)19(23-2)12-16(15)13-20/h3-5,10-12,21H,6-9,13H2,1-2H3
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n/an/a 120n/an/an/an/an/an/a



Martin-Luther-Universit£t Halle-Wittenberg

Curated by ChEMBL


Assay Description
Inhibition of 7-dehydroxycholesterol reductase-mediated cholesterol biosynthesis in human HL60 cells assessed as inhibition of 2-[13C]acetate after 2...


J Med Chem 55: 7614-22 (2012)

More data for this
Ligand-Target Pair
Bcl-2-like protein 11


(Homo sapiens)
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>3.50E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: apoptosis, BH3 domain, Bcl2-A1, BIM, caspase, cancer Primary Collaborator: Todd Golub, Broad Institute, golub@broadinstitute.org Assay Over...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
DNA damage-inducible transcript 3 protein


(Mus musculus)
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>1.00E+4n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Dr. Randal Kaufman, Univer...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
karyopherin alpha 2 (RAG cohort 1, importin alpha 1), isoform CRA_b


(Homo sapiens)
BDBM75129
PNG
(2-benzyl-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinol...)
Show SMILES COc1cc2CCN(Cc3ccccc3)Cc2cc1OC
Show InChI InChI=1S/C18H21NO2/c1-20-17-10-15-8-9-19(12-14-6-4-3-5-7-14)13-16(15)11-18(17)21-2/h3-7,10-11H,8-9,12-13H2,1-2H3
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n/an/an/an/a>5.00E+5n/an/an/an/a



Broad Institute

Curated by PubChem BioAssay


Assay Description
Keywords: Counterscreen, FRET assay, HTS, YIC probe, Dose response, Assay Overview: This is a fluorescence resonance energy transfer (FRET)-based b...


PubChem Bioassay (2010)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
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)

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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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)

More data for this
Ligand-Target Pair
trace amine-associated receptor 1


(Homo sapiens)
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)

More data for this
Ligand-Target Pair