BDBM50208216 CHEMBL3884690

SMILES: O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1

InChI Key: InChIKey=QVCWJIWRPGTNSS-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 = 50208216   

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))	BDBM50208216 (CHEMBL3884690) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C38H45N5O2S/c44-46(45,30-14-5-4-6-15-30)43-25-22-33-36(20-13-21-37(33)43)42-28-26-41(27-29-42)24-12-3-1-2-11-23-39-38-31-16-7-9-18-34(31)40-35-19-10-8-17-32(35)38/h4-7,9,13-16,18,20-22,25H,1-3,8,10-12,17,19,23-24,26-29H2,(H,39,40)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	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 (Electrophorus electricus (Electric eel))	BDBM50208216 (CHEMBL3884690) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C38H45N5O2S/c44-46(45,30-14-5-4-6-15-30)43-25-22-33-36(20-13-21-37(33)43)42-28-26-41(27-29-42)24-12-3-1-2-11-23-39-38-31-16-7-9-18-34(31)40-35-19-10-8-17-32(35)38/h4-7,9,13-16,18,20-22,25H,1-3,8,10-12,17,19,23-24,26-29H2,(H,39,40)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	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))	BDBM50208216 (CHEMBL3884690) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C38H45N5O2S/c44-46(45,30-14-5-4-6-15-30)43-25-22-33-36(20-13-21-37(33)43)42-28-26-41(27-29-42)24-12-3-1-2-11-23-39-38-31-16-7-9-18-34(31)40-35-19-10-8-17-32(35)38/h4-7,9,13-16,18,20-22,25H,1-3,8,10-12,17,19,23-24,26-29H2,(H,39,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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
Acetylcholinesterase (Homo sapiens (Human))	BDBM50208216 (CHEMBL3884690) Show SMILES O=S(=O)(c1ccccc1)n1ccc2c(cccc12)N1CCN(CCCCCCCNc2c3CCCCc3nc3ccccc23)CC1 Show InChI InChI=1S/C38H45N5O2S/c44-46(45,30-14-5-4-6-15-30)43-25-22-33-36(20-13-21-37(33)43)42-28-26-41(27-29-42)24-12-3-1-2-11-23-39-38-31-16-7-9-18-34(31)40-35-19-10-8-17-32(35)38/h4-7,9,13-16,18,20-22,25H,1-3,8,10-12,17,19,23-24,26-29H2,(H,39,40)	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	6.20	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