BDBM222021 N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)methyl)-8-methoxy-2-oxo-2H-chromene-3-carboxamide (6o)

SMILES: COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12

InChI Key: InChIKey=FAIIVGANFZABBI-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 = 222021   

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
Butyrylcholinesterase (BChE) (Equus caballus (Horse))	BDBM222021 (N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...) Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12 Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-18-4-2-3-13-8-15(21(29)31-19(13)18)20(28)24-9-14-11-27(26-25-14)10-12-5-6-16(22)17(23)7-12/h2-8,11H,9-10H2,1H3,(H,24,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	8.0	25
Tehran University of Medical Sciences					Assay Description In vitro anti-AChE activity was performed based on the modified Ellman's method [Ellman et al., Biochem. Pharmacol., 71:88-95]. For this purpose, syn...				Bioorg Chem 70: 86-93 (2017) Article DOI: 10.1016/j.bioorg.2016.11.011 BindingDB Entry DOI: 10.7270/Q2RR1X4C
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM222021 (N-((1-(3,4-dichlorobenzyl)-1H-1,2,3-triazol-4-yl)m...) Show SMILES COc1cccc2cc(C(=O)NCc3cn(Cc4ccc(Cl)c(Cl)c4)nn3)c(=O)oc12 Show InChI InChI=1S/C21H16Cl2N4O4/c1-30-18-4-2-3-13-8-15(21(29)31-19(13)18)20(28)24-9-14-11-27(26-25-14)10-12-5-6-16(22)17(23)7-12/h2-8,11H,9-10H2,1H3,(H,24,28)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.55E+4	n/a	n/a	n/a	n/a	8.0	25
Tehran University of Medical Sciences					Assay Description In vitro anti-AChE activity was performed based on the modified Ellman's method [Ellman et al., Biochem. Pharmacol., 71:88-95]. For this purpose, syn...				Bioorg Chem 70: 86-93 (2017) Article DOI: 10.1016/j.bioorg.2016.11.011 BindingDB Entry DOI: 10.7270/Q2RR1X4C
					More data for this Ligand-Target Pair