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BDBM50205865 (R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino[2,1-a]-isoindol-6(2H)-one::CHEMBL223466

SMILES: CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12

InChI Key: InChIKey=JGSLSPNOXHERQP-JTQLQIEISA-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 = 50205865   
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))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
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Article
PubMed
425n/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 2B


(Homo sapiens (Human))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
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Article
PubMed
547n/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))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
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PubMed
2.42E+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 2C


(Homo sapiens (Human))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
Reactome pathway
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Article
PubMed
n/an/an/an/a 46n/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 2B


(Homo sapiens (Human))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
Reactome pathway
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Article
PubMed
n/an/an/an/a 274n/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))
BDBM50205865
PNG
((R)-7-chloro-10-ethyl-1,3,4,10b-tetrahydropyrazino...)
Show SMILES CCc1ccc(Cl)c2C(=O)N3CCNC[C@H]3c12
Show InChI InChI=1S/C13H15ClN2O/c1-2-8-3-4-9(14)12-11(8)10-7-15-5-6-16(10)13(12)17/h3-4,10,15H,2,5-7H2,1H3/t10-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 3.28E+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