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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 = 'BDBM50133685'   
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))
BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced inositol monophosphate accumulation...


J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50133685
PNG
(CHEMBL3633663)
Show SMILES O=C(CN1CCCC(C1)C(=O)N1CCOCC1)c1c([nH]c2ccccc12)-c1ccccc1
Show InChI InChI=1S/C26H29N3O3/c30-23(18-28-12-6-9-20(17-28)26(31)29-13-15-32-16-14-29)24-21-10-4-5-11-22(21)27-25(24)19-7-2-1-3-8-19/h1-5,7-8,10-11,20,27H,6,9,12-18H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.09E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human 5HT2C receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced inositol monophosphate accumulation...


J Med Chem 58: 8938-51 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01254
BindingDB Entry DOI: 10.7270/Q2DF6T1G
More data for this
Ligand-Target Pair