BDBM50124877 CHEMBL3623553

SMILES: CC(C)Cn1cc(cn1)C(=O)C(F)(F)F

InChI Key: InChIKey=OUPUWBKBRTXEIM-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 = 50124877   

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))	BDBM50124877 (CHEMBL3623553) Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)(F)F Show InChI InChI=1S/C9H11F3N2O/c1-6(2)4-14-5-7(3-13-14)8(15)9(10,11)12/h3,5-6H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	591	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)	BDBM50124877 (CHEMBL3623553) Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)(F)F Show InChI InChI=1S/C9H11F3N2O/c1-6(2)4-14-5-7(3-13-14)8(15)9(10,11)12/h3,5-6H,4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	950	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)	BDBM50124877 (CHEMBL3623553) Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)(F)F Show InChI InChI=1S/C9H11F3N2O/c1-6(2)4-14-5-7(3-13-14)8(15)9(10,11)12/h3,5-6H,4H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.04E+3	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))	BDBM50124877 (CHEMBL3623553) Show SMILES CC(C)Cn1cc(cn1)C(=O)C(F)(F)F Show InChI InChI=1S/C9H11F3N2O/c1-6(2)4-14-5-7(3-13-14)8(15)9(10,11)12/h3,5-6H,4H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	PubMed	n/a	n/a	678	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