Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carboxylic ester hydrolase' and Ligand = 'BDBM50199554'   

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))	BDBM50199554 (CHEMBL389375 | N,N'-dimethyl-N-(2-methoxybenzyl)-N...) Show SMILES COc1ccccc1CN(C)CCCCCCCCCCN(C)CC(=O)N1CCC[C@@H]2[C@@H]3Cc4[nH]c(=O)ccc4[C@]12CC(C)=C3 |c:47,THB:43:42:30:32.33.39| Show InChI InChI=1S/C38H56N4O3/c1-29-24-31-25-34-33(19-20-36(43)39-34)38(26-29)32(31)17-15-23-42(38)37(44)28-41(3)22-14-10-8-6-5-7-9-13-21-40(2)27-30-16-11-12-18-35(30)45-4/h11-12,16,18-20,24,31-32H,5-10,13-15,17,21-23,25-28H2,1-4H3,(H,39,43)/t31-,32+,38+/m0/s1	Reactome pathway KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+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
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