Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50306339'   

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))	BDBM50306339 (4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...) Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.18E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Lineweaver-Burk plot				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50306339 (4-(2,4-Diisopropylphenyl)-4-oxo-N-phenyl-2-(R,S)-(...) Show SMILES CC(C)c1ccc(C(=O)CC(N2CCOCC2)C(=O)Nc2ccccc2)c(c1)C(C)C Show InChI InChI=1S/C26H34N2O3/c1-18(2)20-10-11-22(23(16-20)19(3)4)25(29)17-24(28-12-14-31-15-13-28)26(30)27-21-8-6-5-7-9-21/h5-11,16,18-19,24H,12-15,17H2,1-4H3,(H,27,30)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute Curated by ChEMBL					Assay Description Inhibition of horse serum BChE by Ellman's method				Bioorg Med Chem 18: 1181-93 (2010) Article DOI: 10.1016/j.bmc.2009.12.042 BindingDB Entry DOI: 10.7270/Q2ZW1M1J
					More data for this Ligand-Target Pair