BDBM50217888 3-(phenylsulfonyl)sulfonyl]-1-piperidin-3-yl-1Hpyrrolo[2,3-b]pyridine::CHEMBL235070

SMILES: O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1ccccc1

InChI Key: InChIKey=UEJRENXOUHNGKE-UHFFFAOYSA-N

Data: 2 KI  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 3 hits for monomerid = 50217888   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217888 (3-(phenylsulfonyl)sulfonyl]-1-piperidin-3-yl-1Hpyr...) Show SMILES O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1ccccc1 |w:6.5| Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-7-2-1-3-8-15)17-13-21(14-6-4-10-19-12-14)18-16(17)9-5-11-20-18/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217888 (3-(phenylsulfonyl)sulfonyl]-1-piperidin-3-yl-1Hpyr...) Show SMILES O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1ccccc1 |w:6.5| Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-7-2-1-3-8-15)17-13-21(14-6-4-10-19-12-14)18-16(17)9-5-11-20-18/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Islamic Azad University Curated by ChEMBL					Assay Description Binding affinity to 5HT6 receptor				Eur J Med Chem 45: 3911-5 (2010) Article DOI: 10.1016/j.ejmech.2010.05.045 BindingDB Entry DOI: 10.7270/Q27945XK
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 6 (Homo sapiens (Human))	BDBM50217888 (3-(phenylsulfonyl)sulfonyl]-1-piperidin-3-yl-1Hpyr...) Show SMILES O=S(=O)(c1cn(C2CCCNC2)c2ncccc12)c1ccccc1 |w:6.5| Show InChI InChI=1S/C18H19N3O2S/c22-24(23,15-7-2-1-3-8-15)17-13-21(14-6-4-10-19-12-14)18-16(17)9-5-11-20-18/h1-3,5,7-9,11,13-14,19H,4,6,10,12H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	47	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Agonist activity at human 5HT6 expressed in HeLa cells assessed as intracellular cAMP level by radioimmunoassay				Bioorg Med Chem 15: 6208-26 (2007) Article DOI: 10.1016/j.bmc.2007.06.024 BindingDB Entry DOI: 10.7270/Q2HT2P2G
					More data for this Ligand-Target Pair