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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = '5-hydroxytryptamine receptor 6' and Ligand = 'BDBM50322164'   
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 6


(Homo sapiens (Human))
BDBM50322164
PNG
(CHEMBL1173577 | N-[1-(adamantan-1-yl)ethyl]-10-(be...)
Show SMILES CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
Show InChI InChI=1S/C25H27N5O2S2/c1-15(25-12-16-9-17(13-25)11-18(10-16)14-25)26-22-21-20(7-8-33-21)30-23(27-22)24(28-29-30)34(31,32)19-5-3-2-4-6-19/h2-8,15-18H,9-14H2,1H3,(H,26,27)
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PC cid
PC sid
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Similars

Article
PubMed
103n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322164
PNG
(CHEMBL1173577 | N-[1-(adamantan-1-yl)ethyl]-10-(be...)
Show SMILES CC(Nc1nc2c(nnn2c2ccsc12)S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 |TLB:1:24:27:31.29.30,THB:29:28:25:31.30.32,29:30:27.28.33:25,32:30:27:33.24.25,32:24:27:31.29.30|
Show InChI InChI=1S/C25H27N5O2S2/c1-15(25-12-16-9-17(13-25)11-18(10-16)14-25)26-22-21-20(7-8-33-21)30-23(27-22)24(28-29-30)34(31,32)19-5-3-2-4-6-19/h2-8,15-18H,9-14H2,1H3,(H,26,27)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 221n/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant 5HT6 receptor expressed in HEK293 cells by radioligand displacement assay


Bioorg Med Chem 18: 5282-90 (2010)


Article DOI: 10.1016/j.bmc.2010.05.051
BindingDB Entry DOI: 10.7270/Q2F190QT
More data for this
Ligand-Target Pair