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BDBM50300832 CHEMBL578826::N,N-Dimethyl-N-{2-[3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethyl}amine::N,N-dimethyl-2-(3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanamine

SMILES: CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1

InChI Key: InChIKey=NXGLQPLKYZTCKK-UHFFFAOYSA-N

Data: 2 KI  2 EC50

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 4 hits for monomerid = 50300832   
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 (5-HT6)


(Homo sapiens (human))
BDBM50300832
PNG
(CHEMBL578826 | N,N-Dimethyl-N-{2-[3-(phenylsulfony...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
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Article
PubMed
23n/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 HeLa cells


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300832
PNG
(CHEMBL578826 | N,N-Dimethyl-N-{2-[3-(phenylsulfony...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
23n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 19: 6935-8 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300832
PNG
(CHEMBL578826 | N,N-Dimethyl-N-{2-[3-(phenylsulfony...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human cloned 5HT6 receptor expressed in HeLa cells assessed as induction of adenylyl cyclase activity by RIA


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 6 (5-HT6)


(Homo sapiens (human))
BDBM50300832
PNG
(CHEMBL578826 | N,N-Dimethyl-N-{2-[3-(phenylsulfony...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H19N3O2S/c1-19(2)11-12-20-13-16(15-9-6-10-18-17(15)20)23(21,22)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/an/an/a 25n/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Agonist activity at human HT6 receptor expressed in human HeLa cells assessed as intracellular cAMP level by radioimmunoassay


Bioorg Med Chem Lett 19: 6935-8 (2009)

More data for this
Ligand-Target Pair