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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 = 'BDBM50442745'   
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))
BDBM50442745
PNG
(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50442745
PNG
(CHEMBL2442996)
Show SMILES COc1ccc(cc1)-c1ccccc1N1CCN(CCCCCC(=O)NCc2ccncc2)CC1
Show InChI InChI=1S/C29H36N4O2/c1-35-26-12-10-25(11-13-26)27-7-4-5-8-28(27)33-21-19-32(20-22-33)18-6-2-3-9-29(34)31-23-24-14-16-30-17-15-24/h4-5,7-8,10-17H,2-3,6,9,18-23H2,1H3,(H,31,34)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.20n/an/an/an/an/a



Universit£ degli Studi di Bari A. Moro

Curated by ChEMBL


Assay Description
Displacement of [3H]5-CT from human 5HT7 receptor transfected in HEK293 cells after 60 mins by Scatchard plot analysis


Bioorg Med Chem 22: 1736-50 (2014)


Article DOI: 10.1016/j.bmc.2014.01.016
BindingDB Entry DOI: 10.7270/Q2JW8HV0
More data for this
Ligand-Target Pair