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BDBM50139353 (2-tert-Butylsulfanyl-ethyl)-dimethyl-amine::CHEMBL158973

SMILES: CN(C)CCSC(C)(C)C

InChI Key: InChIKey=GGNMUZPXZVTCHJ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50139353   
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
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
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PubMed
1.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 7 receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in CHO ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
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AffyNet 
CHEMBL
PC cid
PC sid
UniChem

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Similars

PubMed
17n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 1A receptor by the displacement of [3H]-5-HT radioligand from the cloned receptor expressed in HeL...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
PDB
MMDB

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PubMed
100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human 5-hydroxytryptamine 2A receptor by the displacement of [3H]-Ketanserin radioligand from the cloned receptor expressed ...


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM50139353
PNG
((2-tert-Butylsulfanyl-ethyl)-dimethyl-amine | CHEM...)
Show SMILES CN(C)CCSC(C)(C)C
Show InChI InChI=1S/C8H19NS/c1-8(2,3)10-7-6-9(4)5/h6-7H2,1-5H3
PDB

Reactome pathway
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UniProtKB/TrEMBL

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
330n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D2 by the displacement of [3H]-Spiperone radioligand from the cloned receptor expressed in CHO cells


Bioorg Med Chem Lett 14: 677-80 (2004)


BindingDB Entry DOI: 10.7270/Q2CJ8CWS
More data for this
Ligand-Target Pair