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BDBM50144839 (S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-1-yl)-1-methyl-ethylamine::CHEMBL80731

SMILES: CCSc1cc2N(C[C@H](C)N)CCc2cc1F

InChI Key: InChIKey=KAWSTPLVSKOAGD-VIFPVBQESA-N

Data: 3 KI  3 EC50

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 6 hits for monomerid = 50144839   
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))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
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PC sid
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6.40n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2B receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
58n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2A receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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GoogleScholar
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PC sid
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62n/an/an/an/an/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 31n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2B receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 181n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Affinity for human 5-hydroxytryptamine 2C receptor expressed in mammalian cell line


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50144839
PNG
((S)-2-(6-Ethylsulfanyl-5-fluoro-2,3-dihydro-indol-...)
Show SMILES CCSc1cc2N(C[C@H](C)N)CCc2cc1F
Show InChI InChI=1S/C13H19FN2S/c1-3-17-13-7-12-10(6-11(13)14)4-5-16(12)8-9(2)15/h6-7,9H,3-5,8,15H2,1-2H3/t9-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 21n/an/an/an/a



Vernalis Research Ltd

Curated by ChEMBL


Assay Description
Functional activity against human 5-hydroxytryptamine 2C receptor expressed in CHO cells using fluorometricimaging plate reader


Bioorg Med Chem Lett 14: 2367-70 (2004)


Article DOI: 10.1016/j.bmcl.2003.05.001
BindingDB Entry DOI: 10.7270/Q22B8XG5
More data for this
Ligand-Target Pair