BindingDB logo
myBDB logout

5 similar compounds to monomer 50164465

Compile data set for download or QSAR
Wt: 272.4
BDBM50110788
Purchase
Wt: 274.3
BDBM50169008
Wt: 284.4
BDBM50169010
Wt: 306.3
BDBM50230707
Wt: 367.3
BDBM50230708

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 35 hits for monomerid = 50110788,50169008,50169010,50230707,50230708   
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))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.25n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50230708
PNG
(CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.290n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.620n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat brain


Bioorg Med Chem Lett 17: 4991-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.082
BindingDB Entry DOI: 10.7270/Q2B27TZJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.730n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand


J Med Chem 45: 4716-23 (2002)


Article DOI: 10.1021/jm020167y
BindingDB Entry DOI: 10.7270/Q23N22RJ
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50169010
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-vinyl-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C=C)cc1N
Show InChI InChI=1S/C17H20N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h4-11H,1,12,18H2,2-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.12n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.19n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-paroxetine from human serotonin transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50230707
PNG
(CHEMBL253182 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.26n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human SERT expressed in HEK293 cells


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.65n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-paroxetine binding to serotonin transporter (SERT) of rat cortical membrane


J Med Chem 45: 1253-8 (2002)


Article DOI: 10.1021/jm010939a
BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.65n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT


Bioorg Med Chem Lett 16: 1297-300 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.65n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]citalopram from human cloned SERT expressed in HEK293 cells


Bioorg Med Chem 18: 236-41 (2010)


Article DOI: 10.1016/j.bmc.2009.10.062
BindingDB Entry DOI: 10.7270/Q2348KFT
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]MADAM from SERT in rat brain cortex membrane


Bioorg Med Chem 16: 9050-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.70n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from SERT in rat brain cortex membrane


Bioorg Med Chem 16: 9050-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.03n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]paroxetine from human SERT expressed in HEK293 cells


Bioorg Med Chem Lett 18: 4727-30 (2008)


Article DOI: 10.1016/j.bmcl.2008.06.077
BindingDB Entry DOI: 10.7270/Q2M61K2K
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50169008
PNG
(CHEMBL362783 | [3-Amino-4-(2-methylaminomethyl-phe...)
Show SMILES CNCc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.1n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-citalopram binding to human serotonin transporter expressed in human HEK-293 cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
61n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50230708
PNG
(CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
221n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


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


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50169010
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-vinyl-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C=C)cc1N
Show InChI InChI=1S/C17H20N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h4-11H,1,12,18H2,2-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
269n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
320n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-nisoxetine from human norepinephrine transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Norepinephrine Monoamine transporters


(Rattus norvegicus)
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/TrEMBL

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
325n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-nisoxatine binding to norepinephrine transporter (NET) of rat cortical homogenates


J Med Chem 45: 1253-8 (2002)


Article DOI: 10.1021/jm010939a
BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
325n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human cloned NET expressed in HEK293 cells


Bioorg Med Chem 16: 9050-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50169008
PNG
(CHEMBL362783 | [3-Amino-4-(2-methylaminomethyl-phe...)
Show SMILES CNCc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
484n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-nisoxetine binding to norepinephrine transporter expressed in human kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
532n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50230707
PNG
(CHEMBL253182 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
618n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cells


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50230708
PNG
(CHEMBL253184 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(Br)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19BrN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
725n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
Displacement of [3H]nisoxetine from human NET t expressed in HEK293 cells


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50169010
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-vinyl-p...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C=C)cc1N
Show InChI InChI=1S/C17H20N2S/c1-4-13-9-10-17(15(18)11-13)20-16-8-6-5-7-14(16)12-19(2)3/h4-11H,1,12,18H2,2-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
962n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibition of [3H]-GBR-12,935 binding to dopamine transporter (DAT) of rat striatal membranes


J Med Chem 45: 1253-8 (2002)


Article DOI: 10.1021/jm010939a
BindingDB Entry DOI: 10.7270/Q2TH8M15
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50169008
PNG
(CHEMBL362783 | [3-Amino-4-(2-methylaminomethyl-phe...)
Show SMILES CNCc1ccccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C15H18N2OS/c1-17-9-12-4-2-3-5-14(12)19-15-7-6-11(10-18)8-13(15)16/h2-8,17-18H,9-10,16H2,1H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


Assay Description
In vitro inhibition of [3H]-WIN- 35,428 binding to human dopamine transporter expressed in canine kidney cells


J Med Chem 48: 4254-65 (2005)


Article DOI: 10.1021/jm050079o
BindingDB Entry DOI: 10.7270/Q20R9NZ1
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Displacement of [3H]GBR12935 from human cloned DAT expressed in HEK293 cells


Bioorg Med Chem 16: 9050-5 (2008)


Article DOI: 10.1016/j.bmc.2008.08.002
BindingDB Entry DOI: 10.7270/Q21G0M3J
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Univ. Tours

Curated by PDSP Ki Database




J Pharmacol Exp Ther 317: 147-52 (2006)


Article DOI: 10.1124/jpet.105.096792
BindingDB Entry DOI: 10.7270/Q2JW8CFZ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50230707
PNG
(CHEMBL253182 | N,N-dimethyl-2-(2'-amino-4'-hydroxy...)
Show SMILES CN(C)Cc1cc(F)ccc1Sc1ccc(CO)cc1N
Show InChI InChI=1S/C16H19FN2OS/c1-19(2)9-12-8-13(17)4-6-15(12)21-16-5-3-11(10-20)7-14(16)18/h3-8,20H,9-10,18H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
>2.00E+3n/an/an/an/an/an/an/an/a



Emory University

Curated by ChEMBL


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


J Med Chem 51: 271-81 (2008)


Article DOI: 10.1021/jm0707929
BindingDB Entry DOI: 10.7270/Q23778G6
More data for this
Ligand-Target Pair
Dopamine Transporter (DAT)


(Rattus norvegicus (rat))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.16E+3n/an/an/an/an/an/an/an/a



Institut für Interdisziplinäre Isotopenforschung

Curated by ChEMBL


Assay Description
Displacement of [3H]WIN35428 from DAT in rat brain


Bioorg Med Chem Lett 17: 4991-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.02.082
BindingDB Entry DOI: 10.7270/Q2B27TZJ
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Columbia University College of Physicians and Surgeons

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]-GBR-12,935 from human dopamine transporter expressed in HEK-293 cells


J Med Chem 48: 2559-70 (2005)


Article DOI: 10.1021/jm0400808
BindingDB Entry DOI: 10.7270/Q2K9371G
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against DAT


Bioorg Med Chem Lett 16: 1297-300 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50110788
PNG
(2-(2-((dimethylamino)methyl)phenylthio)-5-methylan...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(C)cc1N
Show InChI InChI=1S/C16H20N2S/c1-12-8-9-16(14(17)10-12)19-15-7-5-4-6-13(15)11-18(2)3/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a>100n/an/an/an/an/an/a



INSERM

Curated by ChEMBL


Assay Description
Inhibitory activity against NET


Bioorg Med Chem Lett 16: 1297-300 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.066
BindingDB Entry DOI: 10.7270/Q2Z037R6
More data for this
Ligand-Target Pair