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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 = 'BDBM50375963'   
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))
BDBM50375963
PNG
(CHEMBL259408)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1Cl)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-19-21(31)12-13-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 42n/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
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (Human))
BDBM50375963
PNG
(CHEMBL259408)
Show SMILES Fc1ccc2c(c1)nc(CNC(=O)CCCN1CCN(CC1)c1ccccc1Cl)n(-c1ccccc1)c2=O
Show InChI InChI=1S/C29H29ClFN5O2/c30-24-9-4-5-10-26(24)35-17-15-34(16-18-35)14-6-11-28(37)32-20-27-33-25-19-21(31)12-13-23(25)29(38)36(27)22-7-2-1-3-8-22/h1-5,7-10,12-13,19H,6,11,14-18,20H2,(H,32,37)
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KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 52n/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