BDBM50456913 CHEMBL3891025

SMILES: COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O

InChI Key: InChIKey=IXTWYODPRCKMGS-RVDMUPIBSA-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 = 50456913   

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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50456913 (CHEMBL3891025) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.99E+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 180...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50456913 (CHEMBL3891025) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.78E+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 BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to ...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair
Cholinesterases; ACHE & BCHE (Homo sapiens (Human))	BDBM50456913 (CHEMBL3891025) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.12E+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 BChE using S-butyrylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up to 1...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50456913 (CHEMBL3891025) Show SMILES COc1cc(\C=C\C(=O)Nc2ccc(CN(C)Cc3ccccc3)cc2)ccc1O Show InChI InChI=1S/C25H26N2O3/c1-27(17-20-6-4-3-5-7-20)18-21-8-12-22(13-9-21)26-25(29)15-11-19-10-14-23(28)24(16-19)30-2/h3-16,28H,17-18H2,1-2H3,(H,26,29)/b15-11+	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	8.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human erythrocytic AChE using acetylthiocholine iodide as substrate preincubated for 5 mins followed by substrate addition measured up ...				Eur J Med Chem 139: 68-83 (2017) Article DOI: 10.1016/j.ejmech.2017.07.077 BindingDB Entry DOI: 10.7270/Q2Q52S78
					More data for this Ligand-Target Pair