Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50018830   

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-2 (Homo sapiens (Human))	BDBM50199445 ((E)-N-(2-(5-fluoro-1H-indol-3-yl)ethyl)-4-(3-(4-(4...) Show SMILES Fc1ccc(COc2ccc(\C=C\C(=O)NC3(CCNCC3)C(=O)NCCc3c[nH]c4ccc(F)cc34)cc2)cc1 Show InChI InChI=1S/C32H32F2N4O3/c33-25-6-1-23(2-7-25)21-41-27-9-3-22(4-10-27)5-12-30(39)38-32(14-17-35-18-15-32)31(40)36-16-13-24-20-37-29-11-8-26(34)19-28(24)29/h1-12,19-20,35,37H,13-18,21H2,(H,36,40)(H,38,39)/b12-5+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7239-41 (2006) Article DOI: 10.1021/jm060686r BindingDB Entry DOI: 10.7270/Q2WM1D24
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50199448 (CD-03241 | CHEMBL386248) Show SMILES OCc1cccc(\C=N\c2cc(cc(c2)C(F)(F)F)\N=C\c2cccc(CO)c2O)c1O Show InChI InChI=1S/C23H19F3N2O4/c24-23(25,26)18-7-19(27-10-14-3-1-5-16(12-29)21(14)31)9-20(8-18)28-11-15-4-2-6-17(13-30)22(15)32/h1-11,29-32H,12-13H2/b27-10+,28-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7239-41 (2006) Article DOI: 10.1021/jm060686r BindingDB Entry DOI: 10.7270/Q2WM1D24
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50199446 (3-[(2-Cyano-ethyl)-(4-{4-[4-(5,5,8,8-tetramethyl-5...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1csc(n1)C1CCN(Cc2ccc(cc2)N(CCC#N)CCC#N)CC1 Show InChI InChI=1S/C35H43N5S/c1-34(2)15-16-35(3,4)31-23-28(9-12-30(31)34)32-25-41-33(38-32)27-13-21-39(22-14-27)24-26-7-10-29(11-8-26)40(19-5-17-36)20-6-18-37/h7-12,23,25,27H,5-6,13-16,19-22,24H2,1-4H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.36E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7239-41 (2006) Article DOI: 10.1021/jm060686r BindingDB Entry DOI: 10.7270/Q2WM1D24
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50199447 (CHEMBL215284 | N-(3-(2-ethylhexyloxy)propyl)-4,4-b...) Show SMILES CCCCC(CC)COCCCNC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C28H41NO4/c1-4-6-8-22(5-2)21-33-20-7-19-29-27(32)17-18-28(3,23-9-13-25(30)14-10-23)24-11-15-26(31)16-12-24/h9-16,22,30-31H,4-8,17-21H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Kuopio Curated by ChEMBL					Assay Description Inhibition of human recombinant SIRT2				J Med Chem 49: 7239-41 (2006) Article DOI: 10.1021/jm060686r BindingDB Entry DOI: 10.7270/Q2WM1D24
					More data for this Ligand-Target Pair