BDBM50234774 CHEMBL4104551

SMILES: Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12

InChI Key: InChIKey=GIEJCGGPITUYIN-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 = 50234774   

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))	BDBM50234774 (CHEMBL4104551) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12 Show InChI InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate pretreated for 10 mins followed by substrate addition measure...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50234774 (CHEMBL4104551) Show SMILES Nc1c2CCCCc2nc2Oc3c(ccc4cccnc34)C(c3cccc(F)c3)c12 Show InChI InChI=1S/C25H20FN3O/c26-16-7-3-5-15(13-16)20-18-11-10-14-6-4-12-28-23(14)24(18)30-25-21(20)22(27)17-8-1-2-9-19(17)29-25/h3-7,10-13,20H,1-2,8-9H2,(H2,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Sfax Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE expressed in HEK293 cells using acetylthiocholine iodide as substrate pretreated for 5 mins followed by substrat...				Eur J Med Chem 126: 576-589 (2017) BindingDB Entry DOI: 10.7270/Q21R6SR5
					More data for this Ligand-Target Pair