Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'dicato' and Initial = 'm'   

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
Inhibitor of nuclear factor kappa-B kinase subunit beta (Homo sapiens (Human))	BDBM50230828 (5-(4-fluorophenyl)-2-ureidothiophene-3-carboxamide...) Show SMILES NC(=O)Nc1sc(cc1C(N)=O)-c1ccc(F)cc1 Show InChI InChI=1S/C12H10FN3O2S/c13-7-3-1-6(2-4-7)9-5-8(10(14)17)11(19-9)16-12(15)18/h1-5H,(H2,14,17)(H3,15,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
University of Aberdeen Curated by ChEMBL					Assay Description Inhibition of IKK beta at 300 uM by K-ELISA				J Nat Prod 71: 106-11 (2008) Article DOI: 10.1021/np070290y BindingDB Entry DOI: 10.7270/Q2B858Z7
					More data for this Ligand-Target Pair
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	100	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					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	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267628 (CHEMBL4074207) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C23H28ClN3O4/c1-22(2,3)31-21(29)26-16-9-10-19-17(12-16)18(13-23(4,5)30-19)27-20(28)25-15-8-6-7-14(24)11-15/h6-12,18H,13H2,1-5H3,(H,26,29)(H2,25,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.85E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					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	2.01E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267662 (CHEMBL4059756) Show SMILES CC(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C23H26N4O4/c1-14(2)30-22(29)26-17-8-9-20-18(11-17)19(12-23(3,4)31-20)27-21(28)25-16-7-5-6-15(10-16)13-24/h5-11,14,19H,12H2,1-4H3,(H,26,29)(H2,25,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267628 (CHEMBL4074207) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(Cl)c3)c2c1 Show InChI InChI=1S/C23H28ClN3O4/c1-22(2,3)31-21(29)26-16-9-10-19-17(12-16)18(13-23(4,5)30-19)27-20(28)25-15-8-6-7-14(24)11-15/h6-12,18H,13H2,1-5H3,(H,26,29)(H2,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
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	4.71E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267654 (CHEMBL4104634) Show SMILES COC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C21H22N4O4/c1-21(2)11-17(25-19(26)23-14-6-4-5-13(9-14)12-22)16-10-15(24-20(27)28-3)7-8-18(16)29-21/h4-10,17H,11H2,1-3H3,(H,24,27)(H2,23,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267627 (CHEMBL4090805) Show SMILES CCOC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-4-29-21(28)25-16-8-9-19-17(11-16)18(12-22(2,3)30-19)26-20(27)24-15-7-5-6-14(10-15)13-23/h5-11,18H,4,12H2,1-3H3,(H,25,28)(H2,24,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267662 (CHEMBL4059756) Show SMILES CC(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C23H26N4O4/c1-14(2)30-22(29)26-17-8-9-20-18(11-17)19(12-23(3,4)31-20)27-21(28)25-16-7-5-6-15(10-16)13-24/h5-11,14,19H,12H2,1-4H3,(H,26,29)(H2,25,27,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.48E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC11 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					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	8.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50052830 (CHEMBL3318732) Show SMILES COc1ccc2cc(C(=O)\C=C\C=C\c3ccc(OC)c(OC)c3)c(=O)oc2c1 Show InChI InChI=1S/C23H20O6/c1-26-17-10-9-16-13-18(23(25)29-21(16)14-17)19(24)7-5-4-6-15-8-11-20(27-2)22(12-15)28-3/h4-14H,1-3H3/b6-4+,7-5+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
H�pital Kirchberg Curated by ChEMBL					Assay Description Inhibition of HDAC10 (unknown origin)				Bioorg Med Chem Lett 24: 3797-801 (2014) Article DOI: 10.1016/j.bmcl.2014.06.067 BindingDB Entry DOI: 10.7270/Q26W9CR8
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (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 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	9.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267648 (CHEMBL4084417) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C23H28N4O6/c1-22(2,3)33-21(29)25-15-9-10-19-17(12-15)18(13-23(4,5)32-19)26-20(28)24-14-7-6-8-16(11-14)27(30)31/h6-12,18H,13H2,1-5H3,(H,25,29)(H2,24,26,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.98E+4	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267627 (CHEMBL4090805) Show SMILES CCOC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C22H24N4O4/c1-4-29-21(28)25-16-8-9-19-17(11-16)18(12-22(2,3)30-19)26-20(27)24-15-7-5-6-14(10-15)13-23/h5-11,18H,4,12H2,1-3H3,(H,25,28)(H2,24,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267654 (CHEMBL4104634) Show SMILES COC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C21H22N4O4/c1-21(2)11-17(25-19(26)23-14-6-4-5-13(9-14)12-22)16-10-15(24-20(27)28-3)7-8-18(16)29-21/h4-10,17H,11H2,1-3H3,(H,24,27)(H2,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267653 (CHEMBL4092171) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-10-11-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-15(14-25)7-9-16/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267653 (CHEMBL4092171) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3ccc(cc3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-10-11-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-15(14-25)7-9-16/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.21E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50179360 (CHEMBL3040216) Show SMILES CC1=CCC(=C\C1=N\C(=O)C1=CC=C\C(C1)=N/C(=O)/N=C1/CC(=CC=C1)C(=O)\N=C1\CC(=CC=C1C)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)C(=O)\N=C1/CC=C(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O |c:4,13,24,26,34,36,45,72,t:1,11| Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-11,15-16,20-24H,12-14,17-19H2,1-2H3,(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)/b52-31+,53-32+,54-37+,55-38+,56-39-,57-40-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-3 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50267646 (CHEMBL4102380) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)C#N)c2c1 Show InChI InChI=1S/C24H28N4O4/c1-23(2,3)32-22(30)27-17-9-10-20-18(12-17)19(13-24(4,5)31-20)28-21(29)26-16-8-6-7-15(11-16)14-25/h6-12,19H,13H2,1-5H3,(H,27,30)(H2,26,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-3 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267661 (CHEMBL608379) Show SMILES CC1(C)CC(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)c2cc(Cl)ccc2O1 Show InChI InChI=1S/C18H18ClN3O3S/c1-18(2)10-15(14-9-11(19)3-8-16(14)25-18)21-17(26)20-12-4-6-13(7-5-12)22(23)24/h3-9,15H,10H2,1-2H3,(H2,20,21,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50267648 (CHEMBL4084417) Show SMILES CC(C)(C)OC(=O)Nc1ccc2OC(C)(C)CC(NC(=O)Nc3cccc(c3)[N+]([O-])=O)c2c1 Show InChI InChI=1S/C23H28N4O6/c1-22(2,3)33-21(29)25-15-9-10-19-17(12-15)18(13-23(4,5)32-19)26-20(28)24-14-7-6-8-16(11-14)27(30)31/h6-12,18H,13H2,1-5H3,(H,25,29)(H2,24,26,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-1 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50267661 (CHEMBL608379) Show SMILES CC1(C)CC(NC(=S)Nc2ccc(cc2)[N+]([O-])=O)c2cc(Cl)ccc2O1 Show InChI InChI=1S/C18H18ClN3O3S/c1-18(2)10-15(14-9-11(19)3-8-16(14)25-18)21-17(26)20-12-4-6-13(7-5-12)22(23)24/h3-9,15H,10H2,1-2H3,(H2,20,21,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Biologie Moléculaire et Cellulaire du Cancer, Hôpital Kirchberg , 9, Rue Edward Steichen, L-2540 Luxembourg, Luxembourg. Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged recombinant human SIRT-2 expressed in Escherichia coli using Fluor-de-Lys-SIRT1 as substrate after 15 mins by flu...				J Med Chem 60: 4714-4733 (2017) Article DOI: 10.1021/acs.jmedchem.7b00533 BindingDB Entry DOI: 10.7270/Q23X894D
					More data for this Ligand-Target Pair