BDBM9400 (2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-4-yl)ethyl]pyridine-4-carboxamide::CHEMBL55968::Piperidine Derivative 3p

SMILES: O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1

InChI Key: InChIKey=HJRXXKVKYCNIAA-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 9400   

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 (Mus musculus (mouse))	BDBM9400 ((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1 Show InChI InChI=1S/C20H25N3O/c24-20(19-7-11-21-12-8-19)22-13-6-17-9-14-23(15-10-17)16-18-4-2-1-3-5-18/h1-5,7-8,11-12,17H,6,9-10,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39.0	n/a	n/a	n/a	n/a	n/a	n/a
University of Missouri-St. Louis Curated by ChEMBL					Assay Description Inhibition against Acetylcholinesterase (AChE)				J Med Chem 39: 380-7 (1996) Article DOI: 10.1021/jm950704x BindingDB Entry DOI: 10.7270/Q25D8T1Q
					More data for this Ligand-Target Pair
Acetylcholinesterase (Mus musculus (mouse))	BDBM9400 ((2E)-but-2-enedioic acid; N-[2-(1-benzylpiperidin-...) Show SMILES O=C(NCCC1CCN(Cc2ccccc2)CC1)c1ccncc1 Show InChI InChI=1S/C20H25N3O/c24-20(19-7-11-21-12-8-19)22-13-6-17-9-14-23(15-10-17)16-18-4-2-1-3-5-18/h1-5,7-8,11-12,17H,6,9-10,13-16H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Laboratories					Assay Description The cholinesterase assays were performed using colorimetric method reported by Ellman. The amount of a yellow substance formed after incubation was d...				J Med Chem 33: 1880-7 (1990) Article DOI: 10.1021/jm00169a008 BindingDB Entry DOI: 10.7270/Q20Z71H2
					More data for this Ligand-Target Pair