BDBM50204844 CHEMBL3954267

SMILES: CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1

InChI Key: InChIKey=KVQYRPWLNMXJJF-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 = 50204844   

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
Cholinesterase (Homo sapiens (Human))	BDBM50204844 (CHEMBL3954267) Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	365	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant BChE using butyrylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 ...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50204844 (CHEMBL3954267) Show SMILES CCCc1n[nH]c2Oc3nc4CCCCc4c(N)c3C(c12)c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C24H28N4O3/c1-4-7-16-20-19(13-10-11-17(29-2)18(12-13)30-3)21-22(25)14-8-5-6-9-15(14)26-23(21)31-24(20)28-27-16/h10-12,19H,4-9H2,1-3H3,(H2,25,26)(H,27,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tehran University of Medical Sciences Curated by ChEMBL					Assay Description Inhibition of electric eel AChE using acetylthiocholine iodide as substrate incubated for 5 mins followed by substrate addition measured for 1 min by...				Eur J Med Chem 123: 298-308 (2016) Article DOI: 10.1016/j.ejmech.2016.07.043 BindingDB Entry DOI: 10.7270/Q2V40X55
					More data for this Ligand-Target Pair