BDBM50106448 4-(1-Benzyl-4-oxo-piperidin-3-ylidenemethyl)-2,5-dimethyl-1H-pyrrole-3-carbaldehyde::CHEMBL130738

SMILES: Cc1[nH]c(C)c(C=C2CN(Cc3ccccc3)CCC2=O)c1C=O

InChI Key: InChIKey=ZZVUSNFNVDNFCQ-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50106448   

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))	BDBM50106448 (4-(1-Benzyl-4-oxo-piperidin-3-ylidenemethyl)-2,5-d...) Show SMILES Cc1[nH]c(C)c(C=C2CN(Cc3ccccc3)CCC2=O)c1C=O |w:6.5| Show InChI InChI=1S/C20H22N2O2/c1-14-18(19(13-23)15(2)21-14)10-17-12-22(9-8-20(17)24)11-16-6-4-3-5-7-16/h3-7,10,13,21H,8-9,11-12H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università di Bologna Curated by ChEMBL					Assay Description Inhibitory concentration required against acetylcholinesterase activity				J Med Chem 44: 4011-4 (2001) BindingDB Entry DOI: 10.7270/Q298869Q
					More data for this Ligand-Target Pair