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BDBM50158023 4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine::CHEMBL444015

SMILES: Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12

InChI Key: InChIKey=VGOOFUGEHCADCQ-UHFFFAOYSA-N

Data: 3 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 4 hits for monomerid = 50158023   
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))
BDBM50158023
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H19N3O2S/c20-15-5-7-16(8-6-15)25(23,24)22-13-18(14-9-11-21-12-10-14)17-3-1-2-4-19(17)22/h1-9,13,21H,10-12,20H2
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Article
PubMed
2n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 7


(Homo sapiens (Human))
BDBM50158023
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H19N3O2S/c20-15-5-7-16(8-6-15)25(23,24)22-13-18(14-9-11-21-12-10-14)17-3-1-2-4-19(17)22/h1-9,13,21H,10-12,20H2
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Article
PubMed
1.56E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human cloned 5-hydroxytryptamine 7 receptor stably expressed in CHO cells using [3H]-LSD


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 1A


(Homo sapiens (Human))
BDBM50158023
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H19N3O2S/c20-15-5-7-16(8-6-15)25(23,24)22-13-18(14-9-11-21-12-10-14)17-3-1-2-4-19(17)22/h1-9,13,21H,10-12,20H2
PDB

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Article
PubMed
1.67E+3n/an/an/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity against human cloned 5-hydroxytryptamine 1A receptor stably expressed in CHO cells using [3H]-5-HT


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50158023
PNG
(4-[3-(1,2,3,6-Tetrahydro-pyridin-4-yl)-indole-1-su...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2ccccc12 |t:14|
Show InChI InChI=1S/C19H19N3O2S/c20-15-5-7-16(8-6-15)25(23,24)22-13-18(14-9-11-21-12-10-14)17-3-1-2-4-19(17)22/h1-9,13,21H,10-12,20H2
Reactome pathway
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Article
PubMed
n/an/a 0.800n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibitory concentration against 5-HT stimulated cAMP production in HeLa cells stably transfected with human 5-HT6 receptor


Bioorg Med Chem Lett 15: 379-83 (2004)


Article DOI: 10.1016/j.bmcl.2004.10.064
BindingDB Entry DOI: 10.7270/Q20G3JNQ
More data for this
Ligand-Target Pair