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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 2C' and Ligand = 'BDBM50459714'   
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
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459714
PNG
(CHEMBL4204710 | US10836764, Compound 149)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
Show InChI InChI=1S/C15H21N3/c1-2-11(3-1)13-6-7-17-15-14(13)5-4-12-10-16-8-9-18(12)15/h6-7,11-12,16H,1-5,8-10H2/t12-/m1/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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AffyNet 
PC cid
PC sid
UniChem
US Patent
1.41n/an/an/an/an/an/an/an/a



Arena Pharmaceuticals, Inc.

US Patent


Assay Description
Radioligand binding assays were performed using the commercially available 5-HT2 receptor agonist [125I]DOI as the radioligand and nonspecific bindin...


US Patent US10836764 (2020)


BindingDB Entry DOI: 10.7270/Q22N55CP
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50459714
PNG
(CHEMBL4204710 | US10836764, Compound 149)
Show SMILES [H][C@]12CCc3c(ccnc3N1CCNC2)C1CCC1 |r|
Show InChI InChI=1S/C15H21N3/c1-2-11(3-1)13-6-7-17-15-14(13)5-4-12-10-16-8-9-18(12)15/h6-7,11-12,16H,1-5,8-10H2/t12-/m1/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.10n/an/an/an/a



Usona Institute

Curated by ChEMBL


Assay Description
Agonist activity at recombinant 5-HT2C receptor (unknown origin) expressed in HEK293 cells assessed as increase in [3H]-inositol phosphate accumulati...


ACS Med Chem Lett 9: 864-865 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00328
BindingDB Entry DOI: 10.7270/Q2XS5Z0D
More data for this
Ligand-Target Pair