new BindingDB logo
myBDB logout

BDBM50158031 4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine::CHEMBL179277

SMILES: Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(F)ccc12

InChI Key: InChIKey=CIDHJSQVKHMHFI-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 50158031   
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))
BDBM50158031
PNG
(4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-in...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(F)ccc12 |t:14|
Show InChI InChI=1S/C19H18FN3O2S/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)26(24,25)16-4-2-15(21)3-5-16/h1-7,11-12,22H,8-10,21H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1n/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 6 (5-HT6)


(Homo sapiens (Human))
BDBM50158031
PNG
(4-[5-Fluoro-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-in...)
Show SMILES Nc1ccc(cc1)S(=O)(=O)n1cc(C2=CCNCC2)c2cc(F)ccc12 |t:14|
Show InChI InChI=1S/C19H18FN3O2S/c20-14-1-6-19-17(11-14)18(13-7-9-22-10-8-13)12-23(19)26(24,25)16-4-2-15(21)3-5-16/h1-7,11-12,22H,8-10,21H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9.70n/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