BDBM50124886 CHEMBL3623562

SMILES: CC(C)n1cc(cn1)C(=O)CF

InChI Key: InChIKey=FBYSAQUXVSAHSO-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50124886   

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 (Homo sapiens (Human))	BDBM50124886 (CHEMBL3623562) Show SMILES CC(C)n1cc(cn1)C(=O)CF Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE after 10 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50124886 (CHEMBL3623562) Show SMILES CC(C)n1cc(cn1)C(=O)CF Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 10 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Anopheles gambiae)	BDBM50124886 (CHEMBL3623562) Show SMILES CC(C)n1cc(cn1)C(=O)CF Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant Anopheles gambiae wild type AChE after 60 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50124886 (CHEMBL3623562) Show SMILES CC(C)n1cc(cn1)C(=O)CF Show InChI InChI=1S/C8H11FN2O/c1-6(2)11-5-7(4-10-11)8(12)3-9/h4-6H,3H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of recombinant human AChE after 60 mins by Ellman assay				Bioorg Med Chem Lett 25: 4405-11 (2015) BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair