Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with all data for entry = 50033508   

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))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 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)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT1 expressed in 293T cells by Fluor de Lys fluorescence assay				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50216689 (2-cyano-3-(5-(2,5-dichlorophenyl)furan-2-yl)-N-(qu...) Show SMILES Clc1ccc(Cl)c(c1)-c1ccc(\C=C(/C#N)C(=O)Nc2cccc3ncccc23)o1 Show InChI InChI=1S/C23H13Cl2N3O2/c24-15-6-8-19(25)18(12-15)22-9-7-16(30-22)11-14(13-26)23(29)28-21-5-1-4-20-17(21)3-2-10-27-20/h1-12H,(H,28,29)/b14-11+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of SIRT2				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346541 (CHEMBL1797749) Show SMILES [O-][N+](=O)c1cccc(NC(=O)c2cccc(c2)S(=O)(=O)N2CCCCCC2)c1 Show InChI InChI=1S/C19H21N3O5S/c23-19(20-16-8-6-9-17(14-16)22(24)25)15-7-5-10-18(13-15)28(26,27)21-11-3-1-2-4-12-21/h5-10,13-14H,1-4,11-12H2,(H,20,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of SIRT2				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50178769 ((+/-)-6-chloro-2,3,4,9-tetrahydro-1H-carbazole-1-c...) Show SMILES NC(=O)C1CCCc2c1[nH]c1ccc(Cl)cc21 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)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 by Fluor de Lys fluorescence assay				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50156760 ((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...) Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT2 using acetylated HeLa histones substrate				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50156760 ((E)-2-((2-hydroxynaphthalen-1-yl)methyleneamino)-N...) Show SMILES CC(NC(=O)c1ccccc1\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-9-3-2-4-10-19)28-26(30)22-13-7-8-14-24(22)27-17-23-21-12-6-5-11-20(21)15-16-25(23)29/h2-18,29H,1H3,(H,28,30)/b27-17+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
CeMM-Research Center for Molecular Medicine of the Austrian Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of human recombinant GST-tagged SIRT1 using acetylated HeLa histones substrate				Bioorg Med Chem 19: 3616-24 (2011) Article DOI: 10.1016/j.bmc.2011.01.018 BindingDB Entry DOI: 10.7270/Q2251JJ4
					More data for this Ligand-Target Pair