BDBM50208260 CHEMBL3884988

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1

InChI Key: InChIKey=HFXNFOSTKCPMIS-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50208260   

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))	BDBM50208260 (CHEMBL3884988) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50208260 (CHEMBL3884988) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman'...				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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50208260 (CHEMBL3884988) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Jagiellonian University Collegium Medicum Curated by ChEMBL					Assay Description Inhibition of electric eel AChE preincubated for 5 mins followed by acetylthiocholine iodide substrate addition measured after 5 mins by Ellman's met...				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))	BDBM50208260 (CHEMBL3884988) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C33H35N5O2S/c39-41(40,25-9-2-1-3-10-25)38-19-17-28-31(15-8-16-32(28)38)37-23-21-36(22-24-37)20-18-34-33-26-11-4-6-13-29(26)35-30-14-7-5-12-27(30)33/h1-4,6,8-11,13,15-17,19H,5,7,12,14,18,20-24H2,(H,34,35)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	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