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BDBM50205859 (R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one::CHEMBL375575

SMILES: FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12

InChI Key: InChIKey=JYQPQWBAHAQSSY-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 = 50205859   
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))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
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Article
PubMed
1.08E+3n/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))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
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Article
PubMed
1.47E+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 2B


(Homo sapiens (Human))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
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PubMed
4.03E+3n/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 2B


(Homo sapiens (Human))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
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PubMed
n/an/an/an/a>1.00E+3n/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 2C


(Homo sapiens (Human))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
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Article
PubMed
n/an/an/an/a 35n/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))
BDBM50205859
PNG
((R)-10-chloro-1,3,4,10b-tetrahydro-7-trifluorometh...)
Show SMILES FC(F)(F)c1ccc(Cl)c2[C@@H]3CNCCN3C(=O)c12
Show InChI InChI=1S/C12H10ClF3N2O/c13-7-2-1-6(12(14,15)16)9-10(7)8-5-17-3-4-18(8)11(9)19/h1-2,8,17H,3-5H2/t8-/m0/s1
PDB
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a>3.00E+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