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BDBM104467 US8575186, 230/231::US8575186, 247

SMILES: COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12

InChI Key: InChIKey=XRRLICWNHUIUIT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 104467   
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))
BDBM104467
PNG
(US8575186, 230/231 | US8575186, 247)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C24H25N3O3S/c1-14-13-27(20-7-5-4-6-17(14)20)31(28,29)16-11-18-23-19-9-8-15(25-19)10-21(23)26(2)24(18)22(12-16)30-3/h4-7,11-13,15,19,25H,8-10H2,1-3H3
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KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

US Patent
0.310n/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))
BDBM104467
PNG
(US8575186, 230/231 | US8575186, 247)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1cc(C)c2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C24H25N3O3S/c1-14-13-27(20-7-5-4-6-17(14)20)31(28,29)16-11-18-23-19-9-8-15(25-19)10-21(23)26(2)24(18)22(12-16)30-3/h4-7,11-13,15,19,25H,8-10H2,1-3H3
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