Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Liver carboxylesterase' and Ligand = 'BDBM50500759'   

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
Liver carboxylesterase (Sus scrofa)	BDBM50500759 (CHEMBL3754616) Show SMILES I.CC(N(Cc1ccccc1)C1=NCC(CI)S1)c1ccccc1 |t:11| Show InChI InChI=1S/C19H21IN2S.HI/c1-15(17-10-6-3-7-11-17)22(14-16-8-4-2-5-9-16)19-21-13-18(12-20)23-19;/h2-11,15,18H,12-14H2,1H3;1H	PDB KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Physiologically Active Compounds Russian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of porcine liver carboxylesterase using 4-nitrophenol acetate as substrate by spectrophotometric analysis				Bioorg Med Chem 24: 1050-62 (2016) Article DOI: 10.1016/j.bmc.2016.01.031 BindingDB Entry DOI: 10.7270/Q2B85C4Q
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