BDBM234356 10-Benzyl-3,4,9,10,11,12-hexahydro-2H-pyrido[4′,3′:4,5]thieno[3,2-e]pyrimido[1,2-c]pyrimidin (14)

SMILES: C(N1CCc2c(C1)sc1N=CN3CCCN=C3c21)c1ccccc1

InChI Key: InChIKey=WYEPICZMXLIHIB-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 = 234356   

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))	BDBM234356 (10-Benzyl-3,4,9,10,11,12-hexahydro-2H-pyrido[4R...) Show SMILES C(N1CCc2c(C1)sc1N=CN3CCCN=C3c21)c1ccccc1 |c:10,16| Show InChI InChI=1S/C19H20N4S/c1-2-5-14(6-3-1)11-22-10-7-15-16(12-22)24-19-17(15)18-20-8-4-9-23(18)13-21-19/h1-3,5-6,13H,4,7-12H2	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	-7.94	1.73E+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))	BDBM234356 (10-Benzyl-3,4,9,10,11,12-hexahydro-2H-pyrido[4R...) Show SMILES C(N1CCc2c(C1)sc1N=CN3CCCN=C3c21)c1ccccc1 |c:10,16| Show InChI InChI=1S/C19H20N4S/c1-2-5-14(6-3-1)11-22-10-7-15-16(12-22)24-19-17(15)18-20-8-4-9-23(18)13-21-19/h1-3,5-6,13H,4,7-12H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.19E+5	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))	BDBM234356 (10-Benzyl-3,4,9,10,11,12-hexahydro-2H-pyrido[4R...) Show SMILES C(N1CCc2c(C1)sc1N=CN3CCCN=C3c21)c1ccccc1 |c:10,16| Show InChI InChI=1S/C19H20N4S/c1-2-5-14(6-3-1)11-22-10-7-15-16(12-22)24-19-17(15)18-20-8-4-9-23(18)13-21-19/h1-3,5-6,13H,4,7-12H2	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	6.25E+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