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SMILES: Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccc4OCOc4c3)nc12

InChI Key: InChIKey=YVFSTSJRIZSJNK-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50322165   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50322165
PNG
(CHEMBL1173579 | N-(benzo[d][1,3]dioxol-5-ylmethyl)...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccc4OCOc4c3)nc12
Show InChI InChI=1S/C21H14BrN5O4S2/c22-13-2-4-14(5-3-13)33(28,29)21-20-24-19(18-15(7-8-32-18)27(20)26-25-21)23-10-12-1-6-16-17(9-12)31-11-30-16/h1-9H,10-11H2,(H,23,24)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
28.8n/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))
BDBM50322165
PNG
(CHEMBL1173579 | N-(benzo[d][1,3]dioxol-5-ylmethyl)...)
Show SMILES Brc1ccc(cc1)S(=O)(=O)c1nnn2c3ccsc3c(NCc3ccc4OCOc4c3)nc12
Show InChI InChI=1S/C21H14BrN5O4S2/c22-13-2-4-14(5-3-13)33(28,29)21-20-24-19(18-15(7-8-32-18)27(20)26-25-21)23-10-12-1-6-16-17(9-12)31-11-30-16/h1-9H,10-11H2,(H,23,24)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 62.1n/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