Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Acetylcholinesterase' and Ligand = 'BDBM50038738'   

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 (Mus musculus (mouse))	BDBM50038738 (CHEMBL292421 | Heptyl-carbamic acid 9-ethyl-9-aza-...) Show SMILES CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-3-5-6-7-8-12-22-21(24)25-17-9-10-18-19(15-17)16-11-13-23(4-2)20(18)14-16/h9-10,15-16,20H,3-8,11-14H2,1-2H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	153	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibitory activity against acetylcholinesterase in mice at the dose of 4.4 mg/kg via intraperitoneal administration				J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H
					More data for this Ligand-Target Pair
Acetylcholinesterase (Homo sapiens (Human))	BDBM50038738 (CHEMBL292421 | Heptyl-carbamic acid 9-ethyl-9-aza-...) Show SMILES CCCCCCCNC(=O)Oc1ccc2C3CC(CCN3CC)c2c1 Show InChI InChI=1S/C21H32N2O2/c1-3-5-6-7-8-12-22-21(24)25-17-9-10-18-19(15-17)16-11-13-23(4-2)20(18)14-16/h9-10,15-16,20H,3-8,11-14H2,1-2H3,(H,22,24)	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	169	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against human acetylcholinesterase				J Med Chem 37: 1996-2000 (1994) BindingDB Entry DOI: 10.7270/Q2BZ654H
					More data for this Ligand-Target Pair