BDBM50210169 CHEMBL3959216

SMILES: COc1cc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC

InChI Key: InChIKey=HJXLFJWQLBRGLE-UHFFFAOYSA-N

Data: 3 KI

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 = 50210169   

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))	BDBM50210169 (CHEMBL3959216) Show SMILES COc1cc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C26H38N10O6/c1-37-17-11-15(12-18(38-2)21(17)41-5)31-23(27)33-25(29)35-7-9-36(10-8-35)26(30)34-24(28)32-16-13-19(39-3)22(42-6)20(14-16)40-4/h11-14H,7-10H2,1-6H3,(H4,27,29,31,33)(H4,28,30,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincubated ...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50210169 (CHEMBL3959216) Show SMILES COc1cc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C26H38N10O6/c1-37-17-11-15(12-18(38-2)21(17)41-5)31-23(27)33-25(29)35-7-9-36(10-8-35)26(30)34-24(28)32-16-13-19(39-3)22(42-6)20(14-16)40-4/h11-14H,7-10H2,1-6H3,(H4,27,29,31,33)(H4,28,30,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.03E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Competitive inhibition of equine serum butyrylcholinesterase in presence of varying butyrylthiocholine iodide substrate level preincubated for 20 min...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50210169 (CHEMBL3959216) Show SMILES COc1cc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC Show InChI InChI=1S/C26H38N10O6/c1-37-17-11-15(12-18(38-2)21(17)41-5)31-23(27)33-25(29)35-7-9-36(10-8-35)26(30)34-24(28)32-16-13-19(39-3)22(42-6)20(14-16)40-4/h11-14H,7-10H2,1-6H3,(H4,27,29,31,33)(H4,28,30,32,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.12E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University Halle-Wittenberg Curated by ChEMBL					Assay Description Non-competitive inhibition of Electrophorus electricus acetylcholinesterase in presence of varying acetylthiocholine iodide substrate level preincuba...				Eur J Med Chem 125: 430-434 (2017) Article DOI: 10.1016/j.ejmech.2016.09.051 BindingDB Entry DOI: 10.7270/Q2RJ4MG6
					More data for this Ligand-Target Pair