BDBM50228383 1,7-bis(5,6,7,8-tetrahydroacridin-9-ylamino)heptan-4-one::CHEMBL238230

SMILES: O=C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12

InChI Key: InChIKey=NDGYHTJSFXYWDD-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 = 50228383   

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
Cholinesterases (Homo sapiens (Human))	BDBM50228383 (1,7-bis(5,6,7,8-tetrahydroacridin-9-ylamino)heptan...) Show SMILES O=C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H38N4O/c38-23(11-9-21-34-32-24-13-1-5-17-28(24)36-29-18-6-2-14-25(29)32)12-10-22-35-33-26-15-3-7-19-30(26)37-31-20-8-4-16-27(31)33/h1,3,5,7,13,15,17,19H,2,4,6,8-12,14,16,18,20-22H2,(H,34,36)(H,35,37)	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	11.3	n/a	n/a	n/a	n/a	n/a	n/a
Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum recombinant BChE by Ellman's method				J Med Chem 50: 6446-9 (2007) Article DOI: 10.1021/jm701225u BindingDB Entry DOI: 10.7270/Q2FN15Z6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50228383 (1,7-bis(5,6,7,8-tetrahydroacridin-9-ylamino)heptan...) Show SMILES O=C(CCCNc1c2CCCCc2nc2ccccc12)CCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C33H38N4O/c38-23(11-9-21-34-32-24-13-1-5-17-28(24)36-29-18-6-2-14-25(29)32)12-10-22-35-33-26-15-3-7-19-30(26)37-31-20-8-4-16-27(31)33/h1,3,5,7,13,15,17,19H,2,4,6,8-12,14,16,18,20-22H2,(H,34,36)(H,35,37)	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	1.83	n/a	n/a	n/a	n/a	n/a	n/a
Bologna University Curated by ChEMBL					Assay Description Inhibition of human serum recombinant AChE by Ellman's method				J Med Chem 50: 6446-9 (2007) Article DOI: 10.1021/jm701225u BindingDB Entry DOI: 10.7270/Q2FN15Z6
					More data for this Ligand-Target Pair