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BDBM50346252 7-(2-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahydro-pyrazino[1,2-a]indole::CHEMBL1782363

SMILES: Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1

InChI Key: InChIKey=FIZHFFJIUODSTI-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50346252   
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 2C


(Homo sapiens (Human))
BDBM50346252
PNG
(7-(2-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C17H17FN2S/c18-15-3-1-2-4-17(15)21-14-6-5-12-9-13-11-19-7-8-20(13)16(12)10-14/h1-6,10,13,19H,7-9,11H2
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
49n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5HT2C receptor in human tsA201 cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50346252
PNG
(7-(2-Fluoro-phenylsulfanyl)-1,2,3,4,10,10a-hexahyd...)
Show SMILES Fc1ccccc1Sc1ccc2CC3CNCCN3c2c1
Show InChI InChI=1S/C17H17FN2S/c18-15-3-1-2-4-17(15)21-14-6-5-12-9-13-11-19-7-8-20(13)16(12)10-14/h1-6,10,13,19H,7-9,11H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
150n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]5-LSD from human 5HT6 receptor expressed in human HeLa cells


Bioorg Med Chem Lett 20: 5431-3 (2010)


Article DOI: 10.1016/j.bmcl.2010.07.105
BindingDB Entry DOI: 10.7270/Q2RV0P1S
More data for this
Ligand-Target Pair