BDBM50124887 CHEMBL3623561

SMILES: CC(C)(C)c1cccc(c1)C(=O)CF

InChI Key: InChIKey=GQBFKBBDGKNSLK-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 = 50124887   

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))	BDBM50124887 (CHEMBL3623561) Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3	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	578	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)	BDBM50124887 (CHEMBL3623561) Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	726	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)	BDBM50124887 (CHEMBL3623561) Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	953	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))	BDBM50124887 (CHEMBL3623561) Show SMILES CC(C)(C)c1cccc(c1)C(=O)CF Show InChI InChI=1S/C12H15FO/c1-12(2,3)10-6-4-5-9(7-10)11(14)8-13/h4-7H,8H2,1-3H3	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	715	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