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BDBM50300827 2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine::CHEMBL568672

InChI string: InChI=1S/C15H14FN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)15-13(14)5-2-7-18-15/h1-5,7,9-10H,6,8,17H2

SMILES: NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=QTAPHGYMJJMLDH-UHFFFAOYSA-N

Data: 1 KI  1 EC50

Find this compound or compounds like it in BindingDB or PDB:
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50300827   
Target
(Institution)
LigandTarget
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))
BDBM50300827
PNG
(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H14FN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)15-13(14)5-2-7-18-15/h1-5,7,9-10H,6,8,17H2
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KEGG

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CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
4.70n/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))
BDBM50300827
PNG
(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C15H14FN3O2S/c16-11-3-1-4-12(9-11)22(20,21)14-10-19(8-6-17)15-13(14)5-2-7-18-15/h1-5,7,9-10H,6,8,17H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/an/an/a 24n/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