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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 = 'BDBM50375932'   
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))
BDBM50375932
PNG
(CHEMBL408717)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-16-9-6-13-26(29)36-21-19-35(20-22-36)18-10-17-31(38)33-23-30-34-25-12-5-4-11-24(25)32(39)37(30)27-14-7-8-15-28(27)40-2/h4-9,11-16H,3,10,17-23H2,1-2H3,(H,33,38)
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UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29.0n/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))
BDBM50375932
PNG
(CHEMBL408717)
Show SMILES CCOc1ccccc1N1CCN(CCCC(=O)NCc2nc3ccccc3c(=O)n2-c2ccccc2OC)CC1
Show InChI InChI=1S/C32H37N5O4/c1-3-41-29-16-9-6-13-26(29)36-21-19-35(20-22-36)18-10-17-31(38)33-23-30-34-25-12-5-4-11-24(25)32(39)37(30)27-14-7-8-15-28(27)40-2/h4-9,11-16H,3,10,17-23H2,1-2H3,(H,33,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 29n/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