BDBM50208217 CHEMBL3884195

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1

InChI Key: InChIKey=OJFCLAACSLBCMO-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 = 50208217   

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))	BDBM50208217 (CHEMBL3884195) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1 Show InChI InChI=1S/C33H41N5O2S/c39-41(40,30-11-5-2-6-12-30)38-22-17-31-32(13-7-14-33(31)38)37-25-23-35(24-26-37)19-8-18-34-29-15-20-36(21-16-29)27-28-9-3-1-4-10-28/h1-7,9-14,17,22,29,34H,8,15-16,18-21,23-27H2	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	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))	BDBM50208217 (CHEMBL3884195) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCNC2CCN(Cc3ccccc3)CC2)CC1 Show InChI InChI=1S/C33H41N5O2S/c39-41(40,30-11-5-2-6-12-30)38-22-17-31-32(13-7-14-33(31)38)37-25-23-35(24-26-37)19-8-18-34-29-15-20-36(21-16-29)27-28-9-3-1-4-10-28/h1-7,9-14,17,22,29,34H,8,15-16,18-21,23-27H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.22E+3	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