new BindingDB logo
myBDB logout

BDBM50091098 2-(2-Dimethylaminomethyl-phenylsulfanyl)-5-trifluoromethyl-phenylamine::CHEMBL104673

SMILES: CN(C)Cc1ccccc1Sc1ccc(cc1N)C(F)(F)F

InChI Key: InChIKey=JJAUMTXFZLAGOI-UHFFFAOYSA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50091098   
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))
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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)


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
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)


BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair
Monoamine transporters; serotonin & dopamine


(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
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

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)


BindingDB Entry DOI: 10.7270/Q2J67G4W
More data for this
Ligand-Target Pair