BDBM50034001 3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H-benzoimidazol-5-yl)-propan-1-one; hydrochloride::CHEMBL1082435::CHEMBL555075

SMILES: CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1

InChI Key: InChIKey=NMPLPABDEKPABN-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 = 50034001   

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 (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	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	4.27	n/a	n/a	n/a	n/a	n/a	n/a
Universidade Federal do Rio de Janeiro (UFRJ) Curated by ChEMBL					Assay Description Inhibition of human acetylcholinesterase				Eur J Med Chem 46: 39-51 (2010) Article DOI: 10.1016/j.ejmech.2010.10.009 BindingDB Entry DOI: 10.7270/Q2SX6FG0
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Butyrylcholinesterase obtained from human serum was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Concentration required to inhibit 50% of Acetylcholinesterase obtained from human erythrocytes was determined in vitro				J Med Chem 38: 1084-9 (1995) BindingDB Entry DOI: 10.7270/Q21N81S7
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50034001 (3-(1-Benzyl-piperidin-4-yl)-1-(1-ethyl-2-methyl-1H...) Show SMILES CCn1c(C)nc2cc(ccc12)C(=O)CCC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C25H31N3O/c1-3-28-19(2)26-23-17-22(10-11-24(23)28)25(29)12-9-20-13-15-27(16-14-20)18-21-7-5-4-6-8-21/h4-8,10-11,17,20H,3,9,12-16,18H2,1-2H3	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	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Sichuan University Curated by ChEMBL					Assay Description Inhibition of AChE				Eur J Med Chem 45: 1167-72 (2010) Article DOI: 10.1016/j.ejmech.2009.12.038 BindingDB Entry DOI: 10.7270/Q25H7GFM
					More data for this Ligand-Target Pair