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23 similar compounds to monomer 50245811

Wt: 269.3
BDBM50245807
Wt: 269.3
BDBM50245808
Wt: 267.3
BDBM50246492
Wt: 283.3
BDBM50246493
Wt: 283.3
BDBM50246494
Wt: 283.3
BDBM50246547
Wt: 297.3
BDBM50246550
Wt: 297.3
BDBM50246551
Wt: 313.3
BDBM50246552
Wt: 299.3
BDBM50245960
Wt: 297.3
BDBM50245961
Wt: 297.3
BDBM50245962
Wt: 301.3
BDBM50245963
Wt: 301.3
BDBM50245964
Wt: 301.3
BDBM50245965
Displayed 1 to 15 (of 23 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 63 hits for monomerid = 50245807,50245808,50246492,50246493,50246494,50246547,50246550,50246551,50246552,50245960,50245961,50245962,50245963,50245964,50245965   
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
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246492
PNG
(CHEMBL455447 | N-methyl((1R,2S)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50246494
PNG
((1S,2R)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1
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n/an/a 184n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246547
PNG
((1R,2S)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246550
PNG
(((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-i...)
Show SMILES CNC[C@@]1(Cc2ccccc2[C@@H]1Oc1ccccc1C)OC
Show InChI InChI=1S/C19H23NO2/c1-14-8-4-7-11-17(14)22-18-16-10-6-5-9-15(16)12-19(18,21-3)13-20-2/h4-11,18,20H,12-13H2,1-3H3/t18-,19+/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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246551
PNG
(CHEMBL513618 | rac-2-((ethylamino)methyl)-1-(o-tol...)
Show SMILES CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Show InChI InChI=1S/C19H23NO2/c1-3-20-13-19(21)12-15-9-5-6-10-16(15)18(19)22-17-11-7-4-8-14(17)2/h4-11,18,20-21H,3,12-13H2,1-2H3
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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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246552
PNG
(CHEMBL460295 | rac-2-((2-hydroxyethylamino)methyl)...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Show InChI InChI=1S/C19H23NO3/c1-14-6-2-5-9-17(14)23-18-16-8-4-3-7-15(16)12-19(18,22)13-20-10-11-21/h2-9,18,20-22H,10-13H2,1H3
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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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245807
PNG
(CHEMBL509373 | rac-2-(aminomethyl)-1-(o-tolyloxy)-...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3
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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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245808
PNG
((1S,2R)-2-(aminomethyl)-1-(o-tolyloxy)-2,3-dihydro...)
Show SMILES Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3/t16-,17+/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 dopamine uptake at human DAT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50246492
PNG
(CHEMBL455447 | N-methyl((1R,2S)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


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


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


(Homo sapiens (human))
BDBM50246547
PNG
((1R,2S)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m1/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50246550
PNG
(((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-i...)
Show SMILES CNC[C@@]1(Cc2ccccc2[C@@H]1Oc1ccccc1C)OC
Show InChI InChI=1S/C19H23NO2/c1-14-8-4-7-11-17(14)22-18-16-10-6-5-9-15(16)12-19(18,21-3)13-20-2/h4-11,18,20H,12-13H2,1-3H3/t18-,19+/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 serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50246551
PNG
(CHEMBL513618 | rac-2-((ethylamino)methyl)-1-(o-tol...)
Show SMILES CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Show InChI InChI=1S/C19H23NO2/c1-3-20-13-19(21)12-15-9-5-6-10-16(15)18(19)22-17-11-7-4-8-14(17)2/h4-11,18,20-21H,3,12-13H2,1-2H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50246552
PNG
(CHEMBL460295 | rac-2-((2-hydroxyethylamino)methyl)...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Show InChI InChI=1S/C19H23NO3/c1-14-6-2-5-9-17(14)23-18-16-8-4-3-7-15(16)12-19(18,22)13-20-10-11-21/h2-9,18,20-22H,10-13H2,1H3
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n/an/a 3.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245807
PNG
(CHEMBL509373 | rac-2-(aminomethyl)-1-(o-tolyloxy)-...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245808
PNG
((1S,2R)-2-(aminomethyl)-1-(o-tolyloxy)-2,3-dihydro...)
Show SMILES Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3/t16-,17+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245960
PNG
((1S,2R)-1-(2-(hydroxymethyl)phenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO
Show InChI InChI=1S/C18H21NO3/c1-19-12-18(21)10-13-6-2-4-8-15(13)17(18)22-16-9-5-3-7-14(16)11-20/h2-9,17,19-21H,10-12H2,1H3/t17-,18+/m0/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245961
PNG
((1S,2R)-1-(2,3-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C
Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-18-16-9-5-4-8-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 50n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245962
PNG
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C
Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245963
PNG
((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C
Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 36n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245964
PNG
((1S,2R)-1-(4-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-9-14(19)7-8-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


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


(Homo sapiens (human))
BDBM50245965
PNG
((1S,2R)-1-(5-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-7-8-14(19)9-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of serotonin uptake at human SERT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50245961
PNG
((1S,2R)-1-(2,3-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C
Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-18-16-9-5-4-8-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245960
PNG
((1S,2R)-1-(2-(hydroxymethyl)phenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO
Show InChI InChI=1S/C18H21NO3/c1-19-12-18(21)10-13-6-2-4-8-15(13)17(18)22-16-9-5-3-7-14(16)11-20/h2-9,17,19-21H,10-12H2,1H3/t17-,18+/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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245961
PNG
((1S,2R)-1-(2,3-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C
Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-18-16-9-5-4-8-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245962
PNG
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C
Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245963
PNG
((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C
Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245964
PNG
((1S,2R)-1-(4-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-9-14(19)7-8-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50245965
PNG
((1S,2R)-1-(5-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-7-8-14(19)9-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/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 dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246492
PNG
(CHEMBL455447 | N-methyl((1R,2S)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
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n/an/a 800n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246493
PNG
(CHEMBL455448 | rac-2-((methylamino)methyl)-1-(o-to...)
Show SMILES CNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246494
PNG
((1S,2R)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246547
PNG
((1R,2S)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@]1(O)Cc2ccccc2[C@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m1/s1
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n/an/a 2.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246550
PNG
(((1S,2R)-2-methoxy-1-(o-tolyloxy)-2,3-dihydro-1H-i...)
Show SMILES CNC[C@@]1(Cc2ccccc2[C@@H]1Oc1ccccc1C)OC
Show InChI InChI=1S/C19H23NO2/c1-14-8-4-7-11-17(14)22-18-16-10-6-5-9-15(16)12-19(18,21-3)13-20-2/h4-11,18,20H,12-13H2,1-3H3/t18-,19+/m0/s1
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n/an/a 5.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246551
PNG
(CHEMBL513618 | rac-2-((ethylamino)methyl)-1-(o-tol...)
Show SMILES CCNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Show InChI InChI=1S/C19H23NO2/c1-3-20-13-19(21)12-15-9-5-6-10-16(15)18(19)22-17-11-7-4-8-14(17)2/h4-11,18,20-21H,3,12-13H2,1-2H3
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n/an/a 1.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50246552
PNG
(CHEMBL460295 | rac-2-((2-hydroxyethylamino)methyl)...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Show InChI InChI=1S/C19H23NO3/c1-14-6-2-5-9-17(14)23-18-16-8-4-3-7-15(16)12-19(18,22)13-20-10-11-21/h2-9,18,20-22H,10-13H2,1H3
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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 CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245807
PNG
(CHEMBL509373 | rac-2-(aminomethyl)-1-(o-tolyloxy)-...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3
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n/an/a 4.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245808
PNG
((1S,2R)-2-(aminomethyl)-1-(o-tolyloxy)-2,3-dihydro...)
Show SMILES Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3/t16-,17+/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245960
PNG
((1S,2R)-1-(2-(hydroxymethyl)phenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO
Show InChI InChI=1S/C18H21NO3/c1-19-12-18(21)10-13-6-2-4-8-15(13)17(18)22-16-9-5-3-7-14(16)11-20/h2-9,17,19-21H,10-12H2,1H3/t17-,18+/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 CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245961
PNG
((1S,2R)-1-(2,3-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(C)c1C
Show InChI InChI=1S/C19H23NO2/c1-13-7-6-10-17(14(13)2)22-18-16-9-5-4-8-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 4.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245962
PNG
((1S,2R)-1-(2,4-dimethylphenoxy)-2-((methylamino)me...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(C)cc1C
Show InChI InChI=1S/C19H23NO2/c1-13-8-9-17(14(2)10-13)22-18-16-7-5-4-6-15(16)11-19(18,21)12-20-3/h4-10,18,20-21H,11-12H2,1-3H3/t18-,19+/m0/s1
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n/an/a 6.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245963
PNG
((1S,2R)-1-(3-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cccc(F)c1C
Show InChI InChI=1S/C18H20FNO2/c1-12-15(19)8-5-9-16(12)22-17-14-7-4-3-6-13(14)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245964
PNG
((1S,2R)-1-(4-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccc(F)cc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-9-14(19)7-8-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (human))
BDBM50245965
PNG
((1S,2R)-1-(5-fluoro-2-methylphenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1cc(F)ccc1C
Show InChI InChI=1S/C18H20FNO2/c1-12-7-8-14(19)9-16(12)22-17-15-6-4-3-5-13(15)10-18(17,21)11-20-2/h3-9,17,20-21H,10-11H2,1-2H3/t17-,18+/m0/s1
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n/an/a 1.00E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP2D6 (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246492
PNG
(CHEMBL455447 | N-methyl((1R,2S)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@@H]1Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO/c1-13-7-3-6-10-17(13)20-18-15(12-19-2)11-14-8-4-5-9-16(14)18/h3-10,15,18-19H,11-12H2,1-2H3/t15-,18+/m0/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246493
PNG
(CHEMBL455448 | rac-2-((methylamino)methyl)-1-(o-to...)
Show SMILES CNCC1(O)Cc2ccccc2C1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3
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n/an/a 2.70E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (human))
BDBM50246494
PNG
((1S,2R)-2-((methylamino)methyl)-1-(o-tolyloxy)-2,3...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1C
Show InChI InChI=1S/C18H21NO2/c1-13-7-3-6-10-16(13)21-17-15-9-5-4-8-14(15)11-18(17,20)12-19-2/h3-10,17,19-20H,11-12H2,1-2H3/t17-,18+/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of dopamine uptake at human DAT transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50245960
PNG
((1S,2R)-1-(2-(hydroxymethyl)phenoxy)-2-((methylami...)
Show SMILES CNC[C@]1(O)Cc2ccccc2[C@@H]1Oc1ccccc1CO
Show InChI InChI=1S/C18H21NO3/c1-19-12-18(21)10-13-6-2-4-8-15(13)17(18)22-16-9-5-3-7-14(16)11-20/h2-9,17,19-21H,10-12H2,1H3/t17-,18+/m0/s1
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n/an/a 300n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50245808
PNG
((1S,2R)-2-(aminomethyl)-1-(o-tolyloxy)-2,3-dihydro...)
Show SMILES Cc1ccccc1O[C@H]1c2ccccc2C[C@@]1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3/t16-,17+/m0/s1
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n/an/a 77n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50245807
PNG
(CHEMBL509373 | rac-2-(aminomethyl)-1-(o-tolyloxy)-...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CN
Show InChI InChI=1S/C17H19NO2/c1-12-6-2-5-9-15(12)20-16-14-8-4-3-7-13(14)10-17(16,19)11-18/h2-9,16,19H,10-11,18H2,1H3
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n/an/a 75n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (human))
BDBM50246552
PNG
(CHEMBL460295 | rac-2-((2-hydroxyethylamino)methyl)...)
Show SMILES Cc1ccccc1OC1c2ccccc2CC1(O)CNCCO
Show InChI InChI=1S/C19H23NO3/c1-14-6-2-5-9-17(14)23-18-16-8-4-3-7-15(16)12-19(18,22)13-20-10-11-21/h2-9,18,20-22H,10-13H2,1H3
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n/an/a 2.80E+3n/an/an/an/an/an/a



Neurocrine Biosciences, Inc.

Curated by ChEMBL


Assay Description
Inhibition of norepinephrine uptake at human NET transfected in HEK cells


Citation and Details
More data for this
Ligand-Target Pair
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