BDBM50217893 1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine::CHEMBL398809

SMILES: FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12

InChI Key: InChIKey=ZCQPOBYGONRNAP-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 = 50217893   

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))	BDBM50217893 (1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulf...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12 |w:16.16| Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-4-14(9-12)27(25,26)16-11-24(13-6-8-22-10-13)17-15(16)5-2-7-23-17/h1-5,7,9,11,13,22H,6,8,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29	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))	BDBM50217893 (1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulf...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12 |w:16.16| Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-4-14(9-12)27(25,26)16-11-24(13-6-8-22-10-13)17-15(16)5-2-7-23-17/h1-5,7,9,11,13,22H,6,8,10H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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))	BDBM50217893 (1-pyrrolidin-3-yl-3-(3-trifluoromethyl-benzenesulf...) Show SMILES FC(F)(F)c1cccc(c1)S(=O)(=O)c1cn(C2CCNC2)c2ncccc12 |w:16.16| Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)12-3-1-4-14(9-12)27(25,26)16-11-24(13-6-8-22-10-13)17-15(16)5-2-7-23-17/h1-5,7,9,11,13,22H,6,8,10H2	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	520	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