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BDBM50158027 4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine::CHEMBL181066

SMILES: COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=FXJNMAADTCUZOE-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 = 50158027   
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))
BDBM50158027
PNG
(4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-i...)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
Show InChI InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
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PC cid
PC sid
UniChem
Article
PubMed
3n/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 1A (5-HT1A)


(Homo sapiens (Human))
BDBM50158027
PNG
(4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-i...)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
Show InChI InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
97n/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 7 (5-HT7)


(Homo sapiens (Human))
BDBM50158027
PNG
(4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-i...)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
Show InChI InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
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PubMed
>5.00E+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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158027
PNG
(4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-i...)
Show SMILES COc1ccc2n(cc(C3=CCNCC3)c2c1)S(=O)(=O)c1ccc(N)cc1 |t:9|
Show InChI InChI=1S/C20H21N3O3S/c1-26-16-4-7-20-18(12-16)19(14-8-10-22-11-9-14)13-23(20)27(24,25)17-5-2-15(21)3-6-17/h2-8,12-13,22H,9-11,21H2,1H3
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n/an/a 0.400n/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