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BDBM104477 US8575186, 240/241::US8575186, 257

SMILES: COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12

InChI Key: InChIKey=MYAKLRIXBOSQBL-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 = 104477   
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))
BDBM104477
PNG
(US8575186, 240/241 | US8575186, 257)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-25-20-11-15-7-8-18(24-15)22(20)17-12-16(13-21(29-2)23(17)25)30(27,28)26-10-9-14-5-3-4-6-19(14)26/h3-6,9-10,12-13,15,18,24H,7-8,11H2,1-2H3
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UniProtKB/SwissProt

DrugBank
antibodypedia
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PC cid
PC sid
UniChem

Similars

US Patent
0.350n/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))
BDBM104477
PNG
(US8575186, 240/241 | US8575186, 257)
Show SMILES COc1cc(cc2c3C4CCC(Cc3n(C)c12)N4)S(=O)(=O)n1ccc2ccccc12 |THB:6:7:17:9.10,14:13:17:9.10|
Show InChI InChI=1S/C23H23N3O3S/c1-25-20-11-15-7-8-18(24-15)22(20)17-12-16(13-21(29-2)23(17)25)30(27,28)26-10-9-14-5-3-4-6-19(14)26/h3-6,9-10,12-13,15,18,24H,7-8,11H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
0.850n/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