Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacylase sirtuin-6' and Ligand = 'BDBM50528216'   

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
NAD-dependent protein deacylase sirtuin-6 (Homo sapiens (Human))	BDBM50528216 (CHEMBL4440358) Show SMILES Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C(O)=O Show InChI InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
Shanghai Jiao-Tong University School of Medicine Curated by ChEMBL					Assay Description Inhibition of SIRT6 (unknown origin)				J Med Chem 62: 6405-6421 (2019) Article DOI: 10.1021/acs.jmedchem.8b01749 BindingDB Entry DOI: 10.7270/Q2C53Q9M
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6 (Homo sapiens (Human))	BDBM50528216 (CHEMBL4440358) Show SMILES Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C(O)=O Show InChI InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	5.70E+3	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01291 BindingDB Entry DOI: 10.7270/Q24J0K63
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-6 (Homo sapiens (Human))	BDBM50528216 (CHEMBL4440358) Show SMILES Cc1cc(F)c(Br)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1C(O)=O Show InChI InChI=1S/C20H14BrCl2FN2O6S2/c1-10-4-17(24)16(21)9-18(10)26-34(31,32)19-3-2-13(8-15(19)20(27)28)25-33(29,30)14-6-11(22)5-12(23)7-14/h2-9,25-26H,1H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
TBA					Assay Description Activation of wild type full length human SIRT6 expressed in Escherichia coli BL21(DE3) using RHKK-ac-AMC as substrate incubated for 2 hrs in presenc...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00407 BindingDB Entry DOI: 10.7270/Q208691T
					More data for this Ligand-Target Pair				3D Structure (crystal)