Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50199519'   

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 (Rattus norvegicus (rat))	BDBM50199519 (CHEMBL389579 | N,N'-dimethyl-N-(4-fluorobenzyl)-N'...) Show SMILES CN(CCCCCCCCCCN(C)Cc1ccc(F)cc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:46,THB:42:41:29:31.32.38| Show InChI InChI=1S/C37H53FN4O2/c1-28-23-30-24-34-33(18-19-35(43)39-34)37(25-28)32(30)13-12-22-42(37)36(44)27-41(3)21-11-9-7-5-4-6-8-10-20-40(2)26-29-14-16-31(38)17-15-29/h14-19,23,30,32H,4-13,20-22,24-27H2,1-3H3,(H,39,43)/t30-,32+,37+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of BuChE in rat serum				Bioorg Med Chem 15: 1394-408 (2007) Article DOI: 10.1016/j.bmc.2006.11.009 BindingDB Entry DOI: 10.7270/Q27W6BTX
					More data for this Ligand-Target Pair