BDBM50188018 3-(2-{4-[bis(4-fluoro-phenyl)-methyl]-piperazine-1-yl}-ethyl)-2-methyl-5,6,7,8-tetrahydro-4aH-quinolin-4-one::CHEMBL212111

SMILES: Cc1nc2CCCCc2c(O)c1CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1

InChI Key: InChIKey=GNBXGLNMYAWAOK-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 = 50188018   

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))	BDBM50188018 (3-(2-{4-[bis(4-fluoro-phenyl)-methyl]-piperazine-1...) Show SMILES Cc1nc2CCCCc2c(O)c1CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2N3O/c1-20-25(29(35)26-4-2-3-5-27(26)32-20)14-15-33-16-18-34(19-17-33)28(21-6-10-23(30)11-7-21)22-8-12-24(31)13-9-22/h6-13,28H,2-5,14-19H2,1H3,(H,32,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of electric eel AchE				Bioorg Med Chem Lett 16: 3932-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.030 BindingDB Entry DOI: 10.7270/Q2RJ4J3F
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50188018 (3-(2-{4-[bis(4-fluoro-phenyl)-methyl]-piperazine-1...) Show SMILES Cc1nc2CCCCc2c(O)c1CCN1CCN(CC1)C(c1ccc(F)cc1)c1ccc(F)cc1 Show InChI InChI=1S/C29H33F2N3O/c1-20-25(29(35)26-4-2-3-5-27(26)32-20)14-15-33-16-18-34(19-17-33)28(21-6-10-23(30)11-7-21)22-8-12-24(31)13-9-22/h6-13,28H,2-5,14-19H2,1H3,(H,32,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Mysore Curated by ChEMBL					Assay Description Inhibition of human serum AchE				Bioorg Med Chem Lett 16: 3932-6 (2006) Article DOI: 10.1016/j.bmcl.2006.05.030 BindingDB Entry DOI: 10.7270/Q2RJ4J3F
					More data for this Ligand-Target Pair