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BDBM50205901 (R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-a]isoindol-6(2H)-one::CHEMBL220900

SMILES: Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl

InChI Key: InChIKey=LGWMDPQPQYEPII-QMMMGPOBSA-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 = 50205901   
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))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
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Article
PubMed
70n/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))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
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Article
PubMed
107n/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))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
PDB
MMDB

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Article
PubMed
383n/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 2B


(Homo sapiens (Human))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
Reactome pathway
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Article
PubMed
n/an/an/an/a 57n/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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/an/an/a>1.00E+3n/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 2C


(Homo sapiens (Human))
BDBM50205901
PNG
((R)-7,8-dichloro-1,3,4,10b-tetrahydropyrazino[2,1-...)
Show SMILES Clc1ccc2[C@@H]3CNCCN3C(=O)c2c1Cl
Show InChI InChI=1S/C11H10Cl2N2O/c12-7-2-1-6-8-5-14-3-4-15(8)11(16)9(6)10(7)13/h1-2,8,14H,3-5H2/t8-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 20n/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