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BDBM50205875 (R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one::CHEMBL223468

SMILES: CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC

InChI Key: InChIKey=ZWKILPBYPRWWLP-NSHDSACASA-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 = 50205875   
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 2B


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
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Article
PubMed
18n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
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PubMed
37n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
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Article
PubMed
43n/an/an/an/an/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human recombinant 5HT2A expressed in HEK293E cells


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
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PubMed
n/an/an/an/a 1.40n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2C expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
PDB
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Article
PubMed
n/an/an/an/a 123n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2A expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2B


(Homo sapiens (Human))
BDBM50205875
PNG
((R)-8-ethyl-7-methoxy-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc2[C@@H]3CNCCN3C(=O)c2c1OC
Show InChI InChI=1S/C14H18N2O2/c1-3-9-4-5-10-11-8-15-6-7-16(11)14(17)12(10)13(9)18-2/h4-5,11,15H,3,6-8H2,1-2H3/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 8n/an/an/an/a



Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Activity at human 5HT2B expressed in HEK293E cells assessed as elevation of intracellular calcium by 384-FLIPR assay


J Med Chem 50: 1365-79 (2007)


Article DOI: 10.1021/jm0612968
BindingDB Entry DOI: 10.7270/Q2XP74M8
More data for this
Ligand-Target Pair