BDBM50124891 CHEMBL3623566

SMILES: FCC(=O)c1cnn(c1)C1CCCC1

InChI Key: InChIKey=IUCANLAVDXMGCM-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 = 50124891   

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))	BDBM50124891 (CHEMBL3623566) Show SMILES FCC(=O)c1cnn(c1)C1CCCC1 Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.50E+3	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)	BDBM50124891 (CHEMBL3623566) Show SMILES FCC(=O)c1cnn(c1)C1CCCC1 Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.86E+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 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)	BDBM50124891 (CHEMBL3623566) Show SMILES FCC(=O)c1cnn(c1)C1CCCC1 Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.54E+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))	BDBM50124891 (CHEMBL3623566) Show SMILES FCC(=O)c1cnn(c1)C1CCCC1 Show InChI InChI=1S/C10H13FN2O/c11-5-10(14)8-6-12-13(7-8)9-3-1-2-4-9/h6-7,9H,1-5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.31E+3	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