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BDBM50300828 2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)-N,N-dimethylethanamine::CHEMBL571858::N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N,N-dimethylamine::WAY-208466

InChI string: InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3

SMILES: CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1

InChI Key: InChIKey=SFSFIDVAEMDPIP-UHFFFAOYSA-N

Data: 3 KI  5 IC50  3 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 11 hits for monomerid = 50300828   
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))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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Article
PubMed
4.80n/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))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
4.80n/an/an/an/an/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic acid diethylamide from human 5-HT6 receptor expressed in HeLa cells by scintillation counter


J Med Chem 58: 7901-12 (2015)

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


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
4.90n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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n/an/a>5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D4 receptor expressed in CHO-K1 cells


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
PDB

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Article
PubMed
n/an/a>5.00E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in CHO-K1 cells


Bioorg Med Chem 17: 5153-63 (2009)

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


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
n/an/an/an/a 7.30n/an/an/an/a



Universit£ de Caen Basse-Normandie

Curated by ChEMBL


Assay Description
Agonist activity at human 5-HT6 receptor expressed in HeLa cells after 10 mins by scintillation proximity assay


J Med Chem 58: 7901-12 (2015)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 2A (5-HT2A)


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
n/an/a 351n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [125I]DOI from human cloned 5HT2A receptor expressed in CHO cells


Bioorg Med Chem 17: 5153-63 (2009)

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


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
n/an/an/an/a 7.30n/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
5-Hydroxytryptamine receptor 2C (5-HT2C)


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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Article
PubMed
n/an/a 644n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]5-HT from human cloned 5HT2C receptor expressed in CHO cells


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair
5-Hydroxytryptamine receptor 7 (5-HT7)


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
n/an/a 4.76E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human cloned 5HT7 receptor expressed in CHO cells


Bioorg Med Chem 17: 5153-63 (2009)

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


(Homo sapiens (human))
BDBM50300828
PNG
(2-(3-(3-fluorophenylsulfonyl)-1H-pyrrolo[2,3-b]pyr...)
Show SMILES CN(C)CCn1cc(c2cccnc12)S(=O)(=O)c1cccc(F)c1
Show InChI InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
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PubMed
n/an/an/an/a 7.30n/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