BindingDB logo
myBDB logout

PubMed code 10956218

Compile data set for download or QSAR
Found 12 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091096
PNG
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
Show InChI InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.270n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Serotonin transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091098
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluo...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2S/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19/h3-9H,10,20H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
0.330n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Serotonin transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091097
PNG
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Serotonin transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent serotonin transporter


(Homo sapiens (Human))
BDBM50091095
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...)
Show SMILES COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
Show InChI InChI=1S/C16H20N2OS/c1-18(2)11-12-6-4-5-7-15(12)20-16-9-8-13(19-3)10-14(16)17/h4-10H,11,17H2,1-3H3
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.89n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Serotonin transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50091096
PNG
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
Show InChI InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
115n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Dopamine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50091096
PNG
(5-Chloro-2-(2-dimethylaminomethyl-phenylsulfanyl)-...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(Cl)cc1N
Show InChI InChI=1S/C15H17ClN2S/c1-18(2)10-11-5-3-4-6-14(11)19-15-8-7-12(16)9-13(15)17/h3-9H,10,17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
230n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Norepinephrine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50091098
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluo...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2S/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19/h3-9H,10,20H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
1.21E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Norepinephrine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50091097
PNG
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.35E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Norepinephrine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50091097
PNG
(3-Amino-4-(2-dimethylaminomethyl-phenylsulfanyl)-b...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C#N
Show InChI InChI=1S/C16H17N3S/c1-19(2)11-13-5-3-4-6-15(13)20-16-8-7-12(10-17)9-14(16)18/h3-9H,11,18H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.42E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Dopamine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent noradrenaline transporter


(Homo sapiens (Human))
BDBM50091095
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...)
Show SMILES COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
Show InChI InChI=1S/C16H20N2OS/c1-18(2)11-12-6-4-5-7-15(12)20-16-9-8-13(19-3)10-14(16)17/h4-10H,11,17H2,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.99E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Norepinephrine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50091098
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluo...)
Show SMILES CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F
Show InChI InChI=1S/C16H17F3N2S/c1-21(2)10-11-5-3-4-6-14(11)22-15-8-7-12(9-13(15)20)16(17,18)19/h3-9H,10,20H2,1-2H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.04E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Dopamine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Sodium-dependent dopamine transporter


(Homo sapiens (Human))
BDBM50091095
PNG
(2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-methoxy...)
Show SMILES COc1ccc(Sc2ccccc2CN(C)C)c(N)c1
Show InChI InChI=1S/C16H20N2OS/c1-18(2)11-12-6-4-5-7-15(12)20-16-9-8-13(19-3)10-14(16)17/h4-10H,11,17H2,1-3H3
NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.65E+3n/an/an/an/an/an/an/an/a



Centre for Addiction and Mental Health

Curated by ChEMBL


Assay Description
In vitro binding affinity on cloned Dopamine transporter


J Med Chem 43: 3103-10 (2000)


Article DOI: 10.1021/jm000079i
BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%