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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 7' and Ligand = 'BDBM50532897'   
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 7


(Homo sapiens (Human))
BDBM50532897
PNG
(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50532897
PNG
(CHEMBL4572955)
Show SMILES O=C(CCN1CCN(Cc2ccccc2)CC1)NCc1ccccc1
Show InChI InChI=1S/C21H27N3O/c25-21(22-17-19-7-3-1-4-8-19)11-12-23-13-15-24(16-14-23)18-20-9-5-2-6-10-20/h1-10H,11-18H2,(H,22,25)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
4.30n/an/an/an/an/an/an/an/a



Universit£ di Catania

Curated by ChEMBL


Assay Description
Displacement of [3H]-5-HT from human 5-HT7 receptor expressed in CHOK1 cell membranes after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem Lett 26: 4052-6 (2016)


Article DOI: 10.1016/j.bmcl.2016.06.080
BindingDB Entry DOI: 10.7270/Q2VM4GS6
More data for this
Ligand-Target Pair