BindingDB logo
myBDB logout

BDBM50205880 (R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethylpyrazino-[2,1-a]isoindol-6(2H)-one::CHEMBL373483

SMILES: CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F

InChI Key: InChIKey=UDGYHMBUODQQEI-ZDUSSCGKSA-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 = 50205880   
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))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
57n/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))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
220n/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))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
627n/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))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 363n/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))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50205880
PNG
((R)-9-butyl-1,3,4,10b-tetrahydro-7-trifluoromethyl...)
Show SMILES CCCCc1cc2[C@@H]3CNCCN3C(=O)c2c(c1)C(F)(F)F
Show InChI InChI=1S/C16H19F3N2O/c1-2-3-4-10-7-11-13-9-20-5-6-21(13)15(22)14(11)12(8-10)16(17,18)19/h7-8,13,20H,2-6,9H2,1H3/t13-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
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 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