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BDBM50330519 5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfonyl)-1-propyl-1H-indazole::CHEMBL1277751

SMILES: CCCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12

InChI Key: InChIKey=GDOIJRCWWFUDGD-UHFFFAOYSA-N

Data: 1 KI  1 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50330519   
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))
BDBM50330519
PNG
(5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfo...)
Show SMILES CCCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H28N4O2S/c1-3-13-29-23-12-11-20(28-16-14-27(2)15-17-28)18-22(23)25(26-29)32(30,31)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,18H,3,13-17H2,1-2H3
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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells


J Med Chem 53: 7639-46 (2010)


Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50330519
PNG
(5-(4-methylpiperazin-1-yl)-3-(naphthalen-1-ylsulfo...)
Show SMILES CCCn1nc(c2cc(ccc12)N1CCN(C)CC1)S(=O)(=O)c1cccc2ccccc12
Show InChI InChI=1S/C25H28N4O2S/c1-3-13-29-23-12-11-20(28-16-14-27(2)15-17-28)18-22(23)25(26-29)32(30,31)24-10-6-8-19-7-4-5-9-21(19)24/h4-12,18H,3,13-17H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Antagonist activity at human cloned 5HT6 receptor expressed in human HeLa cells by cyclase assay


J Med Chem 53: 7639-46 (2010)


Article DOI: 10.1021/jm1007825
BindingDB Entry DOI: 10.7270/Q2GQ6XZ6
More data for this
Ligand-Target Pair