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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-Hydroxytryptamine receptor 7 (5-HT7)' and Ligand = 'BDBM50375924'   
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 (5-HT7)


(Homo sapiens (Human))
BDBM50375924
PNG
(CHEMBL261742)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-14-13-23(33)20-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Sharif University of Technology

Curated by ChEMBL


Assay Description
Inhibition of 5HT7 receptor by radioligand binding assay


Eur J Med Chem 44: 1463-70 (2009)


Article DOI: 10.1016/j.ejmech.2008.09.050
BindingDB Entry DOI: 10.7270/Q2QV3NRM
More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375924
PNG
(CHEMBL261742)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccc(F)cc3c(=O)n2-c2cccc(OC)c2)CC1
Show InChI InChI=1S/C32H36FN5O4/c1-3-42-29-11-5-4-10-28(29)37-18-16-36(17-19-37)15-7-12-31(39)34-22-30-35-27-14-13-23(33)20-26(27)32(40)38(30)24-8-6-9-25(21-24)41-2/h4-6,8-11,13-14,20-21H,3,7,12,15-19,22H2,1-2H3,(H,34,39)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Institute of Science and Technology

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human recombinant 5HT7 receptor


Bioorg Med Chem 16: 2570-8 (2008)


Article DOI: 10.1016/j.bmc.2007.11.049
BindingDB Entry DOI: 10.7270/Q2JW8FRT
More data for this
Ligand-Target Pair