BDBM50208252 CHEMBL3884154

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNCc2ccccc2)CC1

InChI Key: InChIKey=RJFZRWZZAMXOMY-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 = 50208252   

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))	BDBM50208252 (CHEMBL3884154) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNCc2ccccc2)CC1 Show InChI InChI=1S/C28H32N4O2S/c33-35(34,25-11-5-2-6-12-25)32-18-15-26-27(13-7-14-28(26)32)31-21-19-30(20-22-31)17-8-16-29-23-24-9-3-1-4-10-24/h1-7,9-15,18,29H,8,16-17,19-23H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in CHOK1 cell membranes measured after 60 mins by scintillation counter				Eur J Med Chem 124: 63-81 (2016) Article DOI: 10.1016/j.ejmech.2016.08.016 BindingDB Entry DOI: 10.7270/Q2PZ5BT8
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50208252 (CHEMBL3884154) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNCc2ccccc2)CC1 Show InChI InChI=1S/C28H32N4O2S/c33-35(34,25-11-5-2-6-12-25)32-18-15-26-27(13-7-14-28(26)32)31-21-19-30(20-22-31)17-8-16-29-23-24-9-3-1-4-10-24/h1-7,9-15,18,29H,8,16-17,19-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE preincubated for 5 mins followed by butyrylthiocholine iodide substrate addition measured after 5 mins by Ellman's m...				Eur J Med Chem 124: 63-81 (2016) Article DOI: 10.1016/j.ejmech.2016.08.016 BindingDB Entry DOI: 10.7270/Q2PZ5BT8
					More data for this Ligand-Target Pair