BDBM50391208 CHEMBL2088786

SMILES: Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N

InChI Key: InChIKey=LZUQODKACLHUIP-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 = 50391208   

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))	BDBM50391208 (CHEMBL2088786) Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28)	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	70	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE using acetylthiocholine as substrate by Ellman method				Eur J Med Chem 57: 296-301 (2012) Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50391208 (CHEMBL2088786) Show SMILES Nc1nc(NCCCCC2CCN(Cc3ccccc3)CC2)c(cc1C#N)C#N Show InChI InChI=1S/C23H28N6/c24-15-20-14-21(16-25)23(28-22(20)26)27-11-5-4-6-18-9-12-29(13-10-18)17-19-7-2-1-3-8-19/h1-3,7-8,14,18H,4-6,9-13,17H2,(H3,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica Org£nica General (CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BChE using butyrylthiocholine as substrate by Ellman method				Eur J Med Chem 57: 296-301 (2012) Article DOI: 10.1016/j.ejmech.2012.09.030 BindingDB Entry DOI: 10.7270/Q2MP54CK
					More data for this Ligand-Target Pair