Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM50539239'   

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
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50539239 (CHEMBL4635981) Show SMILES Cn1ccc2c(SCC(O)=O)ncnc12 Show InChI InChI=1S/C9H9N3O2S/c1-12-3-2-6-8(12)10-5-11-9(6)15-4-7(13)14/h2-3,5H,4H2,1H3,(H,13,14)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human His6-tagged NOTUM (81 to 451 residues) Cys330Ser mutant transfected in HEK293S cells using OPTS as substrate incubated for 1 hr b...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2019.126751 BindingDB Entry DOI: 10.7270/Q23X8B58
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