BDBM29399 CHEMBL218940::tacrine-dihydropyridine hybrid (tacripyrine), 10

SMILES: CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C

InChI Key: InChIKey=MZIOSKFQZWMLKH-UHFFFAOYSA-N

Data: 6 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 6 hits for monomerid = 29399   

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))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	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	58	n/a	n/a	n/a	n/a	7.2	22
CSIC					Assay Description The inhibitory activity of the compounds towards hAChE was determined following the method of Ellman using AChE from human serum and acetylthiocholin...				J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	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	>1.00E+5	n/a	n/a	n/a	n/a	7.2	22
CSIC					Assay Description The inhibitory activity of the compounds towards BuChE was determined following the method of Ellman using BuChE from human serum and butyrylthiochol...				J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of human serum BuChE				J Med Chem 49: 7607-10 (2006) Article DOI: 10.1021/jm061047j BindingDB Entry DOI: 10.7270/Q26T0M97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of human erythrocyte AChE				J Med Chem 49: 7607-10 (2006) Article DOI: 10.1021/jm061047j BindingDB Entry DOI: 10.7270/Q26T0M97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
CSIC) Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE				J Med Chem 49: 7607-10 (2006) Article DOI: 10.1021/jm061047j BindingDB Entry DOI: 10.7270/Q26T0M97
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM29399 (CHEMBL218940 | tacrine-dihydropyridine hybrid (tac...) Show SMILES CCOC(=O)C1C(c2cccc(OC)c2)c2c(N)c3CCCCc3nc2N=C1C |c:29| Show InChI InChI=1S/C23H27N3O3/c1-4-29-23(27)18-13(2)25-22-20(19(18)14-8-7-9-15(12-14)28-3)21(24)16-10-5-6-11-17(16)26-22/h7-9,12,18-19H,4-6,10-11H2,1-3H3,(H2,24,26)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
CSIC					Assay Description The inhibitory activity of the compounds towards AChE was determined following the spectrophotometric method of Rappaport using purified AChE from Ee...				J Med Chem 52: 2724-32 (2009) Article DOI: 10.1021/jm801292b BindingDB Entry DOI: 10.7270/Q2C827NZ
					More data for this Ligand-Target Pair