Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50261345'   

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))	BDBM50261345 (5-(1,2-Dithiolan-3-yl)-N-[8-(6,7,8,9,10,11-hexahyd...) Show SMILES O=C(CCCCC1CCSS1)NCCCCCCCC\N=c1/n2CCCCCCc2nc2ccccc12 Show InChI InChI=1S/C30H46N4OS2/c35-29(19-11-8-15-25-20-24-36-37-25)31-21-12-4-1-2-5-13-22-32-30-26-16-9-10-17-27(26)33-28-18-7-3-6-14-23-34(28)30/h9-10,16-17,25H,1-8,11-15,18-24H2,(H,31,35)/b32-30-	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Friedrich-Schiller-Universität Jena Curated by ChEMBL					Assay Description Inhibition of equine serum BuChE by Ellman's assay				Bioorg Med Chem 16: 4252-61 (2008) Article DOI: 10.1016/j.bmc.2008.02.083 BindingDB Entry DOI: 10.7270/Q2Q81CV1
					More data for this Ligand-Target Pair