Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50016874'   

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
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50016874 (CHEMBL3276409) Show SMILES [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C36H46N2.2BrH/c1-37(2,29-31-19-23-35(24-20-31)33-15-9-7-10-16-33)27-13-5-6-14-28-38(3,4)30-32-21-25-36(26-22-32)34-17-11-8-12-18-34;;/h7-12,15-26H,5-6,13-14,27-30H2,1-4H3;2*1H/q+2;;/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Line...				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair
Carboxylic ester hydrolase (Equus caballus (Horse))	BDBM50016874 (CHEMBL3276409) Show SMILES [Br-].[Br-].C[N+](C)(CCCCCC[N+](C)(C)Cc1ccc(cc1)-c1ccccc1)Cc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C36H46N2.2BrH/c1-37(2,29-31-19-23-35(24-20-31)33-15-9-7-10-16-33)27-13-5-6-14-28-38(3,4)30-32-21-25-36(26-22-32)34-17-11-8-12-18-34;;/h7-12,15-26H,5-6,13-14,27-30H2,1-4H3;2*1H/q+2;;/p-2	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis				J Med Chem 20: 1617-23 (1978) BindingDB Entry DOI: 10.7270/Q29025BQ
					More data for this Ligand-Target Pair