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BDBM50205891 (R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one::CHEMBL223440

SMILES: CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1

InChI Key: InChIKey=YMMIJLPGZMHLGI-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 = 50205891   
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))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
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Article
PubMed
124n/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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
Reactome pathway
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Similars

Article
PubMed
248n/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 2A


(Homo sapiens (Human))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
Reactome pathway
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PC sid
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Article
PubMed
4.96E+3n/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 2A


(Homo sapiens (Human))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
Reactome pathway
KEGG

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


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Article
PubMed
n/an/an/an/a>1.00E+4n/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))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 49n/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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50205891
PNG
((R)-7-chloro-9-ethyl-1,3,4,10b-tetrahydropyrazino[...)
Show SMILES CCc1cc2[C@@H]3CNCCN3C(=O)c2c(Cl)c1
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-5-9-11-7-15-3-4-16(11)13(17)12(9)10(14)6-8/h5-6,11,15H,2-4,7H2,1H3/t11-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a>1.00E+4n/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