BDBM50515467 CHEMBL4439554

SMILES: Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1

InChI Key: InChIKey=LPFRQQSAVVOOFW-FYJGNVAPSA-N

Data: 3 KI  2 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 5 hits for monomerid = 50515467   

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
Cholinesterase (Equus caballus (Horse))	BDBM50515467 (CHEMBL4439554) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using butyrylthiocholine iodide as substrat...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50515467 (CHEMBL4439554) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-substrate-inhibitor complex using acetylthiocholine iodide as substrate ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50515467 (CHEMBL4439554) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of electric eel AChE assessed as dissociation constant for enzyme-inhibitor complex using acetylthiocholine iodide as substrate measured f...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50515467 (CHEMBL4439554) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	194	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of human serum BuChe by Ellman's method				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50515467 (CHEMBL4439554) Show SMILES Oc1ccc(\C=N\c2c3CCCCc3nc3ccccc23)cc1 Show InChI InChI=1S/C20H18N2O/c23-15-11-9-14(10-12-15)13-21-20-16-5-1-3-7-18(16)22-19-8-4-2-6-17(19)20/h1,3,5,7,9-13,23H,2,4,6,8H2/b21-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Sevilla Curated by ChEMBL					Assay Description Inhibition of human recombinant AChE expressed in HEK293 cells using acetylcholine iodide as substrate preincubated with enzyme for 20 mins followed ...				Eur J Med Chem 181: (2019) Article DOI: 10.1016/j.ejmech.2019.07.053
					More data for this Ligand-Target Pair