BDBM50210854 CHEMBL3960040

SMILES: Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1

InChI Key: InChIKey=KRPJPNQVNAQLEE-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50210854   

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 (Equus caballus (Horse))	BDBM50210854 (CHEMBL3960040) Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1 Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari"A. Moro" Curated by ChEMBL					Assay Description Competitive inhibition of horse serum BChE in presence of varying levels of butyrylthiocholine iodide substrate by Lineweaver-burk plot method				Eur J Med Chem 125: 288-298 (2017) Article DOI: 10.1016/j.ejmech.2016.09.037 BindingDB Entry DOI: 10.7270/Q2G44S9D
					More data for this Ligand-Target Pair
Cholinesterases (Homo sapiens (Human))	BDBM50210854 (CHEMBL3960040) Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1 Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of human BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method				Eur J Med Chem 125: 288-298 (2017) Article DOI: 10.1016/j.ejmech.2016.09.037 BindingDB Entry DOI: 10.7270/Q2G44S9D
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50210854 (CHEMBL3960040) Show SMILES Fc1cccc(CCn2c3CCCNC(=O)c3c3ccccc23)c1 Show InChI InChI=1S/C20H19FN2O/c21-15-6-3-5-14(13-15)10-12-23-17-8-2-1-7-16(17)19-18(23)9-4-11-22-20(19)24/h1-3,5-8,13H,4,9-12H2,(H,22,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Bari"A. Moro" Curated by ChEMBL					Assay Description Inhibition of horse serum BChE pretreated for 20 mins followed by butyrylthiocholine iodide substrate addition measured for 5 mins by Ellman's method				Eur J Med Chem 125: 288-298 (2017) Article DOI: 10.1016/j.ejmech.2016.09.037 BindingDB Entry DOI: 10.7270/Q2G44S9D
					More data for this Ligand-Target Pair