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23 similar compounds to monomer 50232678

Compile data set for download or QSAR
Wt: 260.3
BDBM50032371
Wt: 274.4
BDBM50032376
Wt: 246.3
BDBM50032379
Purchase
Wt: 297.4
BDBM50207744
Wt: 297.4
BDBM50207752
Wt: 246.3
BDBM50275771
Purchase
Wt: 556.4
BDBM50175513
Wt: 391.4
BDBM50232672
Wt: 413.4
BDBM50232675
Wt: 377.4
BDBM50232674
Wt: 174.2
BDBM50232681
Wt: 200.2
BDBM50232682
Wt: 138.1
BDBM50232683
Wt: 126.1
BDBM50232684
Wt: 108.1
BDBM50232687
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 56 hits for monomerid = 50032371,50032376,50032379,50207744,50207752,50275771,50175513,50232672,50232675,50232674,50232681,50232682,50232683,50232684,50232687   
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
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
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4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding on serotonin transporter of rat cerebral cortical synaptic membrane


J Med Chem 39: 4844-52 (1997)


Article DOI: 10.1021/jm960495w
BindingDB Entry DOI: 10.7270/Q2M907R2
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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8.5n/an/an/an/an/an/an/an/a



Hokkaido University

Curated by ChEMBL


Assay Description
Inhibition of Serotonin transporter in cerebral cortical synaptic membrane of rats using [3H]-paroxetine


J Med Chem 41: 3507-14 (1998)


Article DOI: 10.1021/jm980238m
BindingDB Entry DOI: 10.7270/Q2000175
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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20n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-LSD from 5-HT6 receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
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4.29E+3n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-8-OH-DPAT from 5HT1A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Binding affinity to 5HT2A receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Homo sapiens (Human))
BDBM50232674
PNG
(CHEMBL4068850)
Show SMILES OCc1cc2cn(c3cccc(o1)c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C21H15NO4S/c23-13-16-11-15-12-22(18-8-4-9-19(26-16)21(15)18)27(24,25)20-10-3-6-14-5-1-2-7-17(14)20/h1-12,23H,13H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-CT from 5-HT7b receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50232672
PNG
(CHEMBL4090862)
Show SMILES Cc1c(CO)oc2cccc3n(cc1c23)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C22H17NO4S/c1-14-17-12-23(18-9-5-10-19(22(17)18)27-20(14)13-24)28(25,26)21-11-4-7-15-6-2-3-8-16(15)21/h2-12,24H,13H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Polish Academy of Sciences

Curated by ChEMBL


Assay Description
Displacement of [3H]-Raclopride from D2L receptor (unknown origin)


ACS Med Chem Lett 8: 390-394 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00482
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 3230-5 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.045
BindingDB Entry DOI: 10.7270/Q2D21ZG8
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of radiolabeled noradrenaline uptake from rat brain NET


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032376
PNG
((1S,2R)-2-Dimethylaminomethyl-1-phenyl-cyclopropan...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
Show InChI InChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
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n/an/a 4.50E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032371
PNG
((1S,2R)-2-Methylaminomethyl-1-phenyl-cyclopropanec...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-,16+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Transporter


(Rattus norvegicus (rat))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from rat synaptosomal NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 28n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from rat synaptosomal SERT expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of Levo[ring-2,5,6-3H]norepinephrine from human cloned NET expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of [alpha,beta-3H(N)]-5-hydroxytryptamine from human cloned SERT expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Displacement of 3,4-[ring-2,5,6-3H]dihydroxyphenylethylamine from human cloned DAT expressed in HEK293 cells by microplate scintillation counter


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232687
PNG
(CHEMBL1188378)
Show SMILES NCc1ccncc1
Show InChI InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1-4H,5,7H2
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n/an/a 1.22E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50275771
PNG
(1S,2R-milnacipran | CHEMBL471001)
Show SMILES CCN(CC)C(=O)[C@@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in HEK293 cells by patch-clamp method


J Med Chem 51: 7265-72 (2009)


Article DOI: 10.1021/jm8009537
BindingDB Entry DOI: 10.7270/Q2H41SCG
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 420n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 6.10E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032371
PNG
((1S,2R)-2-Methylaminomethyl-1-phenyl-cyclopropanec...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-,16+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032371
PNG
((1S,2R)-2-Methylaminomethyl-1-phenyl-cyclopropanec...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CNC)c1ccccc1
Show InChI InChI=1S/C16H24N2O/c1-4-18(5-2)15(19)16(11-14(16)12-17-3)13-9-7-6-8-10-13/h6-10,14,17H,4-5,11-12H2,1-3H3/t14-,16+/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032376
PNG
((1S,2R)-2-Dimethylaminomethyl-1-phenyl-cyclopropan...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
Show InChI InChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032376
PNG
((1S,2R)-2-Dimethylaminomethyl-1-phenyl-cyclopropan...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN(C)C)c1ccccc1
Show InChI InChI=1S/C17H26N2O/c1-5-19(6-2)16(20)17(12-15(17)13-18(3)4)14-10-8-7-9-11-14/h7-11,15H,5-6,12-13H2,1-4H3/t15-,17+/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 1346-9 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.011
BindingDB Entry DOI: 10.7270/Q2S183BV
More data for this
Ligand-Target Pair
Proteasome Macropain subunit


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
Proteasome subunit beta type-10


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a>2.50E+5n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of MECL1 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
20S proteasome chymotrypsin-like


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 6.89E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta5 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
26S proteosome


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 4.27E+3n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP7 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
Proteasome component C5


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 4.64E+4n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of proteasome beta1 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
Proteasome subunit beta type-9


(Homo sapiens (Human))
BDBM50232675
PNG
(CHEMBL4100295)
Show SMILES C[C@@]1(CO1)C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)c1cccc(=O)[nH]1
Show InChI InChI=1S/C21H23N3O6/c1-21(12-30-21)18(27)15(10-13-6-3-2-4-7-13)23-20(29)16(11-25)24-19(28)14-8-5-9-17(26)22-14/h2-9,15-16,25H,10-12H2,1H3,(H,22,26)(H,23,29)(H,24,28)/t15-,16-,21+/m0/s1
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n/an/a 51n/an/an/an/an/an/a



Kezar Life Sciences

Curated by ChEMBL


Assay Description
Inhibition of LMP2 in human MOLT4 cell lysate after 1 hr by ELISA


ACS Med Chem Lett 8: 413-417 (2017)


Article DOI: 10.1021/acsmedchemlett.6b00496
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232681
PNG
(CHEMBL4099444)
Show SMILES NCc1ccnc(c1)-n1ccnc1
Show InChI InChI=1S/C9H10N4/c10-6-8-1-2-12-9(5-8)13-4-3-11-7-13/h1-5,7H,6,10H2
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n/an/a 203n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232682
PNG
(CHEMBL3467241)
Show SMILES NCc1ccnc(Oc2ccccc2)c1
Show InChI InChI=1S/C12H12N2O/c13-9-10-6-7-14-12(8-10)15-11-4-2-1-3-5-11/h1-8H,9,13H2
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n/an/a 309n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232683
PNG
(CHEMBL4066086)
Show SMILES COc1cc(CN)ccn1
Show InChI InChI=1S/C7H10N2O/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3
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n/an/a 1.18E+3n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Lysyl oxidase homolog 2


(Homo sapiens (Human))
BDBM50232684
PNG
(CHEMBL4103840)
Show SMILES NCc1ccnc(F)c1
Show InChI InChI=1S/C6H7FN2/c7-6-3-5(4-8)1-2-9-6/h1-3H,4,8H2
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n/an/a 385n/an/an/an/an/an/a



PharmAkea Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human LOXL2 expressed in CHO cells assessed as reduction in H2O2 production using DAP as substrate preincubated...


ACS Med Chem Lett 8: 423-427 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00014
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human DAT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 320n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50032379
PNG
((1S,2R)-2-(aminomethyl)-N,N-diethyl-1-phenylcyclop...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1CN)c1ccccc1
Show InChI InChI=1S/C15H22N2O/c1-3-17(4-2)14(18)15(10-13(15)11-16)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11,16H2,1-2H3/t13-,15+/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Neurocrine Bioscience, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human NET


Bioorg Med Chem Lett 18: 3328-32 (2008)


Article DOI: 10.1016/j.bmcl.2008.04.025
BindingDB Entry DOI: 10.7270/Q21V5FTK
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM50175513
PNG
(CHEMBL3808933)
Show SMILES Clc1ccc(NC(=O)Nc2ccc(COc3ccc4nc(NCCN5CCOCC5)oc4c3)cc2)cc1Cl
Show InChI InChI=1S/C27H27Cl2N5O4/c28-22-7-5-20(15-23(22)29)32-26(35)31-19-3-1-18(2-4-19)17-37-21-6-8-24-25(16-21)38-27(33-24)30-9-10-34-11-13-36-14-12-34/h1-8,15-16H,9-14,17H2,(H,30,33)(H2,31,32,35)
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n/an/a 4.94E+4n/an/an/an/an/an/a



Sookmyung Women's University

Curated by ChEMBL


Assay Description
Inhibition of Aurora B (unknown origin) using myelin protein as substrate assessed as ADP generation after 60 mins by ADP-glo assay


Bioorg Med Chem Lett 26: 3067-72 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.017
BindingDB Entry DOI: 10.7270/Q20K2BGN
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50207744
PNG
(CHEMBL389597 | [(1R,2S)-2-(diethylcarbamoyl)-2-(na...)
Show SMILES CCN(CC)C(=O)[C@]1(C[C@H]1C[NH3+])c1ccc2ccccc2c1
Show InChI InChI=1S/C19H24N2O/c1-3-21(4-2)18(22)19(12-17(19)13-20)16-10-9-14-7-5-6-8-15(14)11-16/h5-11,17H,3-4,12-13,20H2,1-2H3/p+1/t17-,19+/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



University of Oslo

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT uptake at DA transporter in Wistar rat synaptosomes


Bioorg Med Chem Lett 17: 2834-7 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.054
BindingDB Entry DOI: 10.7270/Q2H994W3
More data for this
Ligand-Target Pair
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