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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serotonin receptor (2b and 2c)' and Ligand = 'BDBM50205877'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50205877
PNG
((4S,10bR)-4-methyl-1,3,4,10b-tetrahydro-7-trifluor...)
Show SMILES C[C@@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
Show InChI InChI=1S/C13H13F3N2O/c1-7-5-17-6-10-8-3-2-4-9(13(14,15)16)11(8)12(19)18(7)10/h2-4,7,10,17H,5-6H2,1H3/t7-,10+/m1/s1
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KEGG

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Article
PubMed
29n/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
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50205877
PNG
((4S,10bR)-4-methyl-1,3,4,10b-tetrahydro-7-trifluor...)
Show SMILES C[C@@H]1CNC[C@@H]2N1C(=O)c1c2cccc1C(F)(F)F
Show InChI InChI=1S/C13H13F3N2O/c1-7-5-17-6-10-8-3-2-4-9(13(14,15)16)11(8)12(19)18(7)10/h2-4,7,10,17H,5-6H2,1H3/t7-,10+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 40n/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