BDBM50204837 CHEMBL3900401

SMILES: COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC

InChI Key: InChIKey=PFSOXGQUNSMPSU-UHFFFAOYSA-N

Data: 4 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 = 50204837   

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))	BDBM50204837 (CHEMBL3900401) Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50204837 (CHEMBL3900401) Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using s-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50204837 (CHEMBL3900401) Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	814	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytes AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204837 (CHEMBL3900401) Show SMILES COc1cc2CC(CC3CCN(Cc4ncc(C)cc4C)CC3)C(=O)c2cc1OC Show InChI InChI=1S/C25H32N2O3/c1-16-9-17(2)22(26-14-16)15-27-7-5-18(6-8-27)10-20-11-19-12-23(29-3)24(30-4)13-21(19)25(20)28/h9,12-14,18,20H,5-8,10-11,15H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 3 m...				Eur J Med Chem 123: 282-297 (2016) Article DOI: 10.1016/j.ejmech.2016.07.052 BindingDB Entry DOI: 10.7270/Q2ZW1NW5
					More data for this Ligand-Target Pair