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BDBM50417907 CHEMBL1668572::US8552005, 1.1(9)

SMILES: CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=QOPOFWNBOBVJPE-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 = 50417907   
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))
BDBM50417907
PNG
(CHEMBL1668572 | US8552005, 1.1(9))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H14FN3O2S2/c1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h4-8H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.07n/an/an/an/an/an/an/an/a



Chemical Diversity Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant 5HT6 receptor expressed in HEK293 cells assessed as inhibition of serotonin-induced cAMP accumulation after ...


Bioorg Med Chem 19: 1482-91 (2011)


Article DOI: 10.1016/j.bmc.2010.12.055
BindingDB Entry DOI: 10.7270/Q21G0NJS
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50417907
PNG
(CHEMBL1668572 | US8552005, 1.1(9))
Show SMILES CSc1nn2c(C)cc(C)nc2c1S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H14FN3O2S2/c1-9-7-10(2)19-14(17-9)13(15(18-19)22-3)23(20,21)12-6-4-5-11(16)8-12/h4-8H,1-3H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 25n/an/an/an/an/an/a



Avincuro Pharmaceuticals, Inc.

US Patent


Assay Description
Functional assay using 5-HT6 receptors.


US Patent US8552005 (2013)


BindingDB Entry DOI: 10.7270/Q2MG7N4B
More data for this
Ligand-Target Pair