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33 similar compounds to monomer 50173715

Compile data set for download or QSAR
Wt: 227.3
BDBM50162700
Wt: 239.3
BDBM50173702
Wt: 239.3
BDBM50173705
Wt: 239.3
BDBM50173706
Wt: 239.3
BDBM50173709
Wt: 239.3
BDBM50173710
Wt: 239.3
BDBM50173711
Wt: 267.3
BDBM50173712
Wt: 253.3
BDBM50173713
Wt: 214.3
BDBM50220649
Wt: 293.4
BDBM50295289
Wt: 295.4
BDBM50295290
Wt: 343.4
BDBM50295292
Wt: 281.3
BDBM50295293
Wt: 253.3
BDBM50295288
Displayed 1 to 15 (of 33 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50162700,50173702,50173705,50173706,50173709,50173710,50173711,50173712,50173713,50220649,50295289,50295290,50295292,50295293,50295288   
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
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173710
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2c(cccc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-10(7-16)4-3-5-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1
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0.580n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173712
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-et...)
Show SMILES CCn1cc([C@H]2C[C@@H]2CN(C)C)c2cc(ccc12)C#N
Show InChI InChI=1S/C17H21N3/c1-4-20-11-16(14-8-13(14)10-19(2)3)15-7-12(9-18)5-6-17(15)20/h5-7,11,13-14H,4,8,10H2,1-3H3/t13-,14+/m1/s1
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1.80n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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2n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173706
PNG
(3-((1R,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)
Show SMILES CN(C)C[C@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m1/s1
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5.70n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173713
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1-me...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1cn(C)c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-18(2)9-12-7-13(12)15-10-19(3)16-5-4-11(8-17)6-14(15)16/h4-6,10,12-13H,7,9H2,1-3H3/t12-,13+/m1/s1
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6.5n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173709
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cc(ccc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-13(11)14-8-17-15-5-10(7-16)3-4-12(14)15/h3-5,8,11,13,17H,6,9H2,1-2H3/t11-,13+/m1/s1
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7.40n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173705
PNG
((-)3-((1R,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m0/s1
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8.90n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173711
PNG
((+)3-((1S,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@@H]1C[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12-/m0/s1
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17n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173702
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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230n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173702
PNG
(3-((1S,2S)-2-Dimethylaminomethyl-cyclopropyl)-1H-i...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2cccc(C#N)c12
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)13-8-17-14-5-3-4-10(7-16)15(13)14/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m1/s1
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420n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Binding inhibition towards human serotonin transporter


J Med Chem 48: 6023-34 (2005)


Article DOI: 10.1021/jm0503291
BindingDB Entry DOI: 10.7270/Q2PN96DN
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 17: 5647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.083
BindingDB Entry DOI: 10.7270/Q2KP82Z6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50173705
PNG
((-)3-((1R,2R)-2-Dimethylaminomethyl-cyclopropyl)-1...)
Show SMILES CN(C)C[C@@H]1C[C@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C15H17N3/c1-18(2)9-11-6-12(11)14-8-17-15-4-3-10(7-16)5-13(14)15/h3-5,8,11-12,17H,6,9H2,1-2H3/t11-,12+/m0/s1
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n/an/a 1.10n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 17: 5647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.083
BindingDB Entry DOI: 10.7270/Q2KP82Z6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50220649
PNG
(((1S,2S)-2-(1H-indol-3-yl)cyclopropyl)-N,N-dimethy...)
Show SMILES CN(C)C[C@H]1C[C@@H]1c1c[nH]c2ccccc12
Show InChI InChI=1S/C14H18N2/c1-16(2)9-10-7-12(10)13-8-15-14-6-4-3-5-11(13)14/h3-6,8,10,12,15H,7,9H2,1-2H3/t10-,12+/m1/s1
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n/an/a 99n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human SERT


Bioorg Med Chem Lett 17: 5647-51 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.083
BindingDB Entry DOI: 10.7270/Q2KP82Z6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol Myers Squibb

Curated by ChEMBL


Assay Description
Binding affinity to human SERT


J Med Chem 53: 7564-72 (2010)


Article DOI: 10.1021/jm100515z
BindingDB Entry DOI: 10.7270/Q25B02QV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Displacement of [I125]RTI-55 from human SERT transfected in human HEK293 cells


Bioorg Med Chem Lett 20: 1027-30 (2010)


Article DOI: 10.1016/j.bmcl.2009.12.043
BindingDB Entry DOI: 10.7270/Q2125SSB
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295293
PNG
((+/-)-trans-3-(2-((ethyl(methyl)amino)methyl)cyclo...)
Show SMILES CCN(C)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C18H23N3/c1-3-21(2)12-14-5-4-6-15(14)17-11-20-18-8-7-13(10-19)9-16(17)18/h7-9,11,14-15,20H,3-6,12H2,1-2H3/t14-,15+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295292
PNG
((+/-)-trans-3-(2-((benzyl(methyl)amino)methyl)cycl...)
Show SMILES CN(C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N)Cc1ccccc1
Show InChI InChI=1S/C23H25N3/c1-26(15-17-6-3-2-4-7-17)16-19-8-5-9-20(19)22-14-25-23-11-10-18(13-24)12-21(22)23/h2-4,6-7,10-12,14,19-20,25H,5,8-9,15-16H2,1H3/t19-,20+/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295290
PNG
((+/-)-trans-3-(2-((diethylamino)methyl)cyclopentyl...)
Show SMILES CCN(CC)C[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C19H25N3/c1-3-22(4-2)13-15-6-5-7-16(15)18-12-21-19-9-8-14(11-20)10-17(18)19/h8-10,12,15-16,21H,3-7,13H2,1-2H3/t15-,16+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50162700
PNG
(3-(3-(dimethylamino)propyl)-1H-indole-5-carbonitri...)
Show SMILES CN(C)CCCc1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C14H17N3/c1-17(2)7-3-4-12-10-16-14-6-5-11(9-15)8-13(12)14/h5-6,8,10,16H,3-4,7H2,1-2H3
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against serotonin transporter protein (SERT) expressed in HEK293 cells


Bioorg Med Chem Lett 15: 1619-21 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.059
BindingDB Entry DOI: 10.7270/Q25140FV
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295288
PNG
((+/-)-trans-3-(2-((methylamino)methyl)cyclopentyl)...)
Show SMILES CNC[C@H]1CCC[C@@H]1c1c[nH]c2ccc(cc12)C#N
Show InChI InChI=1S/C16H19N3/c1-18-9-12-3-2-4-13(12)15-10-19-16-6-5-11(8-17)7-14(15)16/h5-7,10,12-13,18-19H,2-4,9H2,1H3/t12-,13+/m1/s1
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n/an/a 7n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50295289
PNG
((+/-)-trans-3-(2-(pyrrolidin-1-ylmethyl)cyclopenty...)
Show SMILES N#Cc1ccc2[nH]cc([C@H]3CCC[C@@H]3CN3CCCC3)c2c1
Show InChI InChI=1S/C19H23N3/c20-11-14-6-7-19-17(10-14)18(12-21-19)16-5-3-4-15(16)13-22-8-1-2-9-22/h6-7,10,12,15-16,21H,1-5,8-9,13H2/t15-,16+/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Bristol-Myers SquibbPharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 19: 4031-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.026
BindingDB Entry DOI: 10.7270/Q2Q81D3K
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Ligand-Target Pair