Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Palmitoleoyl-protein carboxylesterase NOTUM' and Ligand = 'BDBM50539225'   

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))	BDBM50539225 (CHEMBL4639884) Show SMILES CCc1nnc2CN(CCn12)C(=O)CSc1ncnc2sc(C)c(Cl)c12 Show InChI InChI=1S/C16H17ClN6OS2/c1-3-10-20-21-11-6-22(4-5-23(10)11)12(24)7-25-15-13-14(17)9(2)26-16(13)19-8-18-15/h8H,3-7H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	23	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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