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3 similar compounds to monomer 50203941

Compile data set for download or QSAR
Wt: 342.3
BDBM50203931
Wt: 346.3
BDBM50203933
Wt: 274.4
BDBM50203947

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 15 hits for monomerid = 50203931,50203933,50203947   
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
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50203931
PNG
((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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n/an/a 5.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50203947
PNG
((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...)
Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50203931
PNG
((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50203931
PNG
((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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n/an/a 2.90E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of hERG


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50203933
PNG
((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1
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n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of hERG


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50203947
PNG
((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...)
Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50203931
PNG
((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50203947
PNG
((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...)
Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50203933
PNG
((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50203947
PNG
((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...)
Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50203933
PNG
((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50203947
PNG
((2-methyl-benzyl)-(S)-pyrrolidin-3-yl-(tetrahydro-...)
Show SMILES Cc1ccccc1CN([C@H]1CCNC1)C1CCOCC1
Show InChI InChI=1S/C17H26N2O/c1-14-4-2-3-5-15(14)13-19(17-6-9-18-12-17)16-7-10-20-11-8-16/h2-5,16-18H,6-13H2,1H3/t17-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of hERG


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50203931
PNG
((S)-N-(2-methyl-3-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Cc1c(CN([C@H]2CCNC2)C2CCOCC2)cccc1C(F)(F)F
Show InChI InChI=1S/C18H25F3N2O/c1-13-14(3-2-4-17(13)18(19,20)21)12-23(16-5-8-22-11-16)15-6-9-24-10-7-15/h2-4,15-16,22H,5-12H2,1H3/t16-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]NA from human NET expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50203933
PNG
((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1
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n/an/a 24n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]5HT from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50203933
PNG
((S)-N-(3-fluoro-2-(trifluoromethyl)benzyl)-N-(tetr...)
Show SMILES Fc1cccc(CN([C@H]2CCNC2)C2CCOCC2)c1C(F)(F)F
Show InChI InChI=1S/C17H22F4N2O/c18-15-3-1-2-12(16(15)17(19,20)21)11-23(14-4-7-22-10-14)13-5-8-24-9-6-13/h1-3,13-14,22H,4-11H2/t14-/m0/s1
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n/an/a>4.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibition of [3H]DA from human DAT expressed in HEK293 cells


Bioorg Med Chem Lett 17: 2022-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.020
BindingDB Entry DOI: 10.7270/Q20R9P2S
More data for this
Ligand-Target Pair