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BDBM50313125 8-(1-(pyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quinoline::CHEMBL1080729

SMILES: O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12

InChI Key: InChIKey=DYBDWJMYDAUKFY-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 = 50313125   
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))
BDBM50313125
PNG
(8-(1-(pyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quino...)
Show SMILES O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C21H19N3O2S/c25-27(26,19-9-3-5-15-6-4-11-23-21(15)19)20-14-24(16-10-12-22-13-16)18-8-2-1-7-17(18)20/h1-9,11,14,16,22H,10,12-13H2
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.5n/an/an/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 6


(Homo sapiens (Human))
BDBM50313125
PNG
(8-(1-(pyrrolidin-3-yl)-1H-indol-3-ylsulfonyl)quino...)
Show SMILES O=S(=O)(c1cn(C2CCNC2)c2ccccc12)c1cccc2cccnc12
Show InChI InChI=1S/C21H19N3O2S/c25-27(26,19-9-3-5-15-6-4-11-23-21(15)19)20-14-24(16-10-12-22-13-16)18-8-2-1-7-17(18)20/h1-9,11,14,16,22H,10,12-13H2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 82n/an/an/an/an/an/a



Wyeth Pharmaceuticals

Curated by ChEMBL


Assay Description
Antagonist activity at human 5-HT6 receptor expressed in human HeLa cells assessed as inhibition of 5HT-induced intracellular cAMP level after 10 min...


Bioorg Med Chem Lett 20: 1657-60 (2010)


Article DOI: 10.1016/j.bmcl.2010.01.073
BindingDB Entry DOI: 10.7270/Q2ZC830C
More data for this
Ligand-Target Pair