Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50199527'   

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))	BDBM50199527 (CHEMBL244230 | N,N'-dimethyl-N-(3-pyridylmethyl)-N...) Show SMILES CN(CCCCCCCCCCN(C)Cc1cccnc1)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:45,THB:41:40:28:30.31.37| Show InChI InChI=1S/C36H53N5O2/c1-28-22-30-23-33-32(16-17-34(42)38-33)36(24-28)31(30)15-13-21-41(36)35(43)27-40(3)20-11-9-7-5-4-6-8-10-19-39(2)26-29-14-12-18-37-25-29/h12,14,16-18,22,25,30-31H,4-11,13,15,19-21,23-24,26-27H2,1-3H3,(H,38,42)/t30-,31+,36+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	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
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