BDBM29402 tacrine-dihydropyridine hybrid (tacripyrine), 13

SMILES: CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C

InChI Key: InChIKey=QKASVMQQXRDCAW-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 29402   

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))	BDBM29402 (tacrine-dihydropyridine hybrid (tacripyrine), 13) Show SMILES CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C |c:27| Show InChI InChI=1S/C21H24N4O2/c1-3-27-21(26)16-12(2)24-20-18(17(16)13-7-6-10-23-11-13)19(22)14-8-4-5-9-15(14)25-20/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3,(H2,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	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
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM29402 (tacrine-dihydropyridine hybrid (tacripyrine), 13) Show SMILES CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C |c:27| Show InChI InChI=1S/C21H24N4O2/c1-3-27-21(26)16-12(2)24-20-18(17(16)13-7-6-10-23-11-13)19(22)14-8-4-5-9-15(14)25-20/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3,(H2,22,25)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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
Cholinesterases (Homo sapiens (Human))	BDBM29402 (tacrine-dihydropyridine hybrid (tacripyrine), 13) Show SMILES CCOC(=O)C1C(c2cccnc2)c2c(N)c3CCCCc3nc2N=C1C |c:27| Show InChI InChI=1S/C21H24N4O2/c1-3-27-21(26)16-12(2)24-20-18(17(16)13-7-6-10-23-11-13)19(22)14-8-4-5-9-15(14)25-20/h6-7,10-11,16-17H,3-5,8-9H2,1-2H3,(H2,22,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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