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BDBM104335 US8575186, 179::US8575186, 180::US8575186, 98/163/164

SMILES: Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12

InChI Key: InChIKey=BESNZYMZQGHFDT-UHFFFAOYSA-N

Data: 3 KI

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 3 hits for monomerid = 104335   
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))
BDBM104335
PNG
(US8575186, 179 | US8575186, 180 | US8575186, 98/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
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PC cid
PC sid
UniChem

Similars

US Patent
0.740n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104335
PNG
(US8575186, 179 | US8575186, 180 | US8575186, 98/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.20n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM104335
PNG
(US8575186, 179 | US8575186, 180 | US8575186, 98/16...)
Show SMILES Cn1c2CC3CCC(N3)c2c2cc(ccc12)S(=O)(=O)c1c[nH]c2ccccc12 |THB:10:9:8:6.5,1:2:8:6.5|
Show InChI InChI=1S/C22H21N3O2S/c1-25-19-9-7-14(11-16(19)22-18-8-6-13(24-18)10-20(22)25)28(26,27)21-12-23-17-5-3-2-4-15(17)21/h2-5,7,9,11-13,18,23-24H,6,8,10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
1.30n/an/an/an/an/an/an/an/a



Albany Molecular Research, Inc.

US Patent


Assay Description
The relative affinities of the various compounds for the 5-HT6 receptor were measured in a radioligand binding assay, using a sintillation proximity ...


US Patent US8575186 (2013)


BindingDB Entry DOI: 10.7270/Q2BR8QTS
More data for this
Ligand-Target Pair