BDBM234352 9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimido[1,2-a]pyrimidin-6-one (10)

SMILES: O=C1N2CCCN=C2Nc2sc3CN(Cc4ccccc4)CCc3c12

InChI Key: InChIKey=HRUOTNAMMONHGE-UHFFFAOYSA-N

Data: 1 KI  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 = 234352   

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 (Electrophorus electricus (Electric eel))	BDBM234352 (9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4&#...) Show SMILES O=C1N2CCCN=C2Nc2sc3CN(Cc4ccccc4)CCc3c12 |c:6| Show InChI InChI=1S/C19H20N4OS/c24-18-16-14-7-10-22(11-13-5-2-1-3-6-13)12-15(14)25-17(16)21-19-20-8-4-9-23(18)19/h1-3,5-6H,4,7-12H2,(H,20,21)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.07E+3	-7.75	1.51E+3	n/a	n/a	n/a	n/a	7.3	25
University of Bonn					Assay Description Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...				J Enzyme Inhib Med Chem 26: 350-8 (2011) Article DOI: 10.3109/14756366.2010.504674 BindingDB Entry DOI: 10.7270/Q2959GF5
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM234352 (9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4&#...) Show SMILES O=C1N2CCCN=C2Nc2sc3CN(Cc4ccccc4)CCc3c12 |c:6| Show InChI InChI=1S/C19H20N4OS/c24-18-16-14-7-10-22(11-13-5-2-1-3-6-13)12-15(14)25-17(16)21-19-20-8-4-9-23(18)19/h1-3,5-6H,4,7-12H2,(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.15E+4	n/a	n/a	n/a	n/a	7.3	25
University of Bonn					Assay Description Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...				J Enzyme Inhib Med Chem 26: 350-8 (2011) Article DOI: 10.3109/14756366.2010.504674 BindingDB Entry DOI: 10.7270/Q2959GF5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM234352 (9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4&#...) Show SMILES O=C1N2CCCN=C2Nc2sc3CN(Cc4ccccc4)CCc3c12 |c:6| Show InChI InChI=1S/C19H20N4OS/c24-18-16-14-7-10-22(11-13-5-2-1-3-6-13)12-15(14)25-17(16)21-19-20-8-4-9-23(18)19/h1-3,5-6H,4,7-12H2,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.69E+3	n/a	n/a	n/a	n/a	7.3	25
University of Bonn					Assay Description Cholinesterase inhibition was assayed spectrophotometrically at 412 nm at 25°C [Pietsch et al., J. Med. Chem., 48:8270-8288; Ellman et al., Bioch...				J Enzyme Inhib Med Chem 26: 350-8 (2011) Article DOI: 10.3109/14756366.2010.504674 BindingDB Entry DOI: 10.7270/Q2959GF5
					More data for this Ligand-Target Pair