Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Cholinesterase' and Ligand = 'BDBM50073115'   

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 (Homo sapiens (Human))	BDBM50073115 (CHEMBL3410953) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Cholinesterase (Equus caballus (Horse))	BDBM50073115 (CHEMBL3410953) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
China Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE using S-butyrylthiocholine iodide as substrate preincubated for 6 mins before substrate addition by Ellman's method				Eur J Med Chem 93: 42-50 (2015) Article DOI: 10.1016/j.ejmech.2015.01.058 BindingDB Entry DOI: 10.7270/Q2154JRN
					More data for this Ligand-Target Pair
Cholinesterase (Homo sapiens (Human))	BDBM50073115 (CHEMBL3410953) Show SMILES Cc1c(C)c2OC(C)(CCc2c(C)c1O)C(=O)NCCCCCNc1c2CCCCc2nc2ccccc12 Show InChI InChI=1S/C32H41N3O3/c1-20-21(2)30-23(22(3)29(20)36)16-17-32(4,38-30)31(37)34-19-11-5-10-18-33-28-24-12-6-8-14-26(24)35-27-15-9-7-13-25(27)28/h6,8,12,14,36H,5,7,9-11,13,15-19H2,1-4H3,(H,33,35)(H,34,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
University Hospital Hradec Kralove Curated by ChEMBL					Assay Description Inhibition of human plasmatic BChE using butyrylthiocholine as substrate preincubated for 5 mins followed by substrate addition measured every 2 mins...				J Med Chem 58: 8985-9003 (2015) Article DOI: 10.1021/acs.jmedchem.5b01325 BindingDB Entry DOI: 10.7270/Q29P33GZ
					More data for this Ligand-Target Pair