Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50449212'   

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
Cholinesterase (Equus caballus (Horse))	BDBM50449212 (CHEMBL3127968) Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 75: 82-95 (2014) Article DOI: 10.1016/j.ejmech.2013.12.028 BindingDB Entry DOI: 10.7270/Q22R3T4P
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50449212 (CHEMBL3127968) Show SMILES Cn1c(CNCC=C)cc2cc(OCCCC3CCN(Cc4ccccc4)CC3)ccc12 Show InChI InChI=1S/C28H37N3O/c1-3-15-29-21-26-19-25-20-27(11-12-28(25)30(26)2)32-18-7-10-23-13-16-31(17-14-23)22-24-8-5-4-6-9-24/h3-6,8-9,11-12,19-20,23,29H,1,7,10,13-18,21-22H2,2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorio de Qu�mica M�dica (IQOG, CSIC) Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using butyrylthiocholine iodide as substrate preincubated for 20 mins followed by substrate addition measured after ...				Eur J Med Chem 75: 82-95 (2014) Article DOI: 10.1016/j.ejmech.2013.12.028 BindingDB Entry DOI: 10.7270/Q22R3T4P
					More data for this Ligand-Target Pair