Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-1' and Ligand = 'BDBM50425824'   

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 deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50425824 (CHEMBL2312289) Show SMILES NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	98	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Biotechnology Center San Diego Curated by ChEMBL					Assay Description Inhibition of full length SIRT1 (unknown origin) by fluorometric enzyme assay				J Med Chem 56: 963-9 (2013) Article DOI: 10.1021/jm301431y BindingDB Entry DOI: 10.7270/Q2B56M22
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50425824 (CHEMBL2312289) Show SMILES NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of N-terminal hexa-His-tagged human SIRT1 (156 to 664 residues) expressed in Escherichia coli BL21 (DE3) assessed as deacetylation of Abz-...				Citation and Details Article DOI: 10.1021/acsmedchemlett.0c00559 BindingDB Entry DOI: 10.7270/Q2VQ3698
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50425824 (CHEMBL2312289) Show SMILES NC(=O)[C@@H]1CCCc2c1[nH]c1ccc(Cl)cc21 |r| Show InChI InChI=1S/C13H13ClN2O/c14-7-4-5-11-10(6-7)8-2-1-3-9(13(15)17)12(8)16-11/h4-6,9,16H,1-3H2,(H2,15,17)/t9-/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
Lilly Biotechnology Center San Diego Curated by ChEMBL					Assay Description Binding affinity to C-terminally His-tagged SIRT1 catalytic domain (241 to 516 amino acid residues plus EGHHHHHH) (unknown origin) expressed in bacul...				J Med Chem 56: 963-9 (2013) Article DOI: 10.1021/jm301431y BindingDB Entry DOI: 10.7270/Q2B56M22
					More data for this Ligand-Target Pair