Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50335592'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetylcholinesterase (Homo sapiens (Human))	BDBM50335592 (CHEMBL1651048 | Cyclobuxophylline K) Show SMILES CC=C1C(=O)C[C@@]2(C)[C@@H]3CC[C@@H]4[C@]5(C[C@@]35CC[C@]12C)CC[C@H](N(C)C)C4(C)C |r,w:1.0| Show InChI InChI=1S/C26H41NO/c1-8-17-18(28)15-24(5)20-10-9-19-22(2,3)21(27(6)7)11-12-25(19)16-26(20,25)14-13-23(17,24)4/h8,19-21H,9-16H2,1-7H3/t19-,20-,21-,23+,24-,25+,26-/m0/s1	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	5.82E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Winnipeg Curated by ChEMBL					Assay Description Inhibition of AChE by Ellman's method				J Nat Prod 73: 1858-62 (2010) Article DOI: 10.1021/np100494u BindingDB Entry DOI: 10.7270/Q2TM7BC0
					More data for this Ligand-Target Pair