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BDBM50300824 2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethylamine::CHEMBL565745

InChI string: InChI=1S/C15H14ClN3O2S/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(Cl)c1

InChI Key: InChIKey=XGXHANFTDNWBFA-UHFFFAOYSA-N

Data: 1 KI  5 IC50  1 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 7 hits for monomerid = 50300824   
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))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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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PubMed
2n/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 2A (5-HT2A)


(Homo sapiens (human))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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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PubMed
n/an/a 11n/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 2C (5-HT2C)


(Homo sapiens (human))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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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n/an/a 44n/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))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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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n/an/a 1.36E+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
Dopamine receptors; D3 & D4


(Homo sapiens (Human))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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
PDB

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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))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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
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PubMed
n/an/an/an/a 18n/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
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM50300824
PNG
(2-{3-[(3-Chlorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]p...)
Show SMILES NCCn1cc(c2cccnc12)S(=O)(=O)c1cccc(Cl)c1
Show InChI InChI=1S/C15H14ClN3O2S/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

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AffyNet 
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PC cid
PC sid
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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 D4 receptor expressed in CHO-K1 cells


Bioorg Med Chem 17: 5153-63 (2009)

More data for this
Ligand-Target Pair