Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'rumpf' and Initial = 't'   

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))	BDBM50148829 (CHEMBL3769432) Show SMILES [H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCNC(=O)C(F)(F)F)NC(=O)[C@@H](NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CSC[C@H](NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CC(N)=O)NC1=O)C(N)=O)[C@@H](C)O)C(C)C)[C@@H](C)O |r| Show InChI InChI=1S/C90H122F3N27O23S/c1-44(2)70-84(140)110-57(9-5-6-28-102-87(143)90(91,92)93)74(130)108-58(10-7-29-103-88(96)97)75(131)109-59(11-8-30-104-89(98)99)76(132)119-71(45(3)121)86(142)116-66(37-68(94)127)81(137)112-61(32-48-14-22-54(124)23-15-48)78(134)111-62(33-49-16-24-55(125)25-17-49)80(136)117-67(73(95)129)40-144-41-69(128)107-60(31-47-12-20-53(123)21-13-47)77(133)113-65(36-52-39-101-43-106-52)83(139)120-72(46(4)122)85(141)115-63(34-50-18-26-56(126)27-19-50)79(135)114-64(82(138)118-70)35-51-38-100-42-105-51/h12-27,38-39,42-46,57-67,70-72,121-126H,5-11,28-37,40-41H2,1-4H3,(H2,94,127)(H2,95,129)(H,100,105)(H,101,106)(H,102,143)(H,107,128)(H,108,130)(H,109,131)(H,110,140)(H,111,134)(H,112,137)(H,113,133)(H,114,135)(H,115,141)(H,116,142)(H,117,136)(H,118,138)(H,119,132)(H,120,139)(H4,96,97,103)(H4,98,99,104)/t45-,46-,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,70+,71+,72+/m1/s1	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	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT2				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50346543 (CHEMBL1797750) Show SMILES Cc1ccc(cc1)C1CC(=O)Nc2ccc3cc(C)ccc3c12 Show InChI InChI=1S/C21H19NO/c1-13-3-6-15(7-4-13)18-12-20(23)22-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3,(H,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of SIRT1				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					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
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148782 (CHEMBL3770049) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Cl)cc34)s2)n1 Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148789 (CHEMBL3771286) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccc(Br)cc34)s2)n1 Show InChI InChI=1S/C22H19BrN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)9-16-5-3-4-15-6-7-17(23)10-19(15)16/h3-8,10-11H,9,12H2,1-2H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148784 (CHEMBL3769991) Show SMILES C[C@H](Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 |r| Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)/t16-/m0/s1	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	260	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O 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/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148791 (CHEMBL3770797) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3c(C)ccc4ccccc34)s2)n1 Show InChI InChI=1S/C23H22N4OS2/c1-14-8-9-17-6-4-5-7-19(17)20(14)11-18-12-24-22(30-18)27-21(28)13-29-23-25-15(2)10-16(3)26-23/h4-10,12H,11,13H2,1-3H3,(H,24,27,28)	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	310	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148792 (CHEMBL3771296) Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 Show InChI InChI=1S/C24H23ClN4OS2/c1-4-21(32-24-27-14(2)10-15(3)28-24)22(30)29-23-26-13-19(31-23)11-17-7-5-6-16-8-9-18(25)12-20(16)17/h5-10,12-13,21H,4,11H2,1-3H3,(H,26,29,30)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148783 (CHEMBL3771164) Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C23H22N4OS2/c1-14-11-15(2)26-23(25-14)29-16(3)21(28)27-22-24-13-19(30-22)12-18-9-6-8-17-7-4-5-10-20(17)18/h4-11,13,16H,12H2,1-3H3,(H,24,27,28)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148781 (CHEMBL3770903) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C22H20N4OS2/c1-14-10-15(2)25-22(24-14)28-13-20(27)26-21-23-12-18(29-21)11-17-8-5-7-16-6-3-4-9-19(16)17/h3-10,12H,11,13H2,1-2H3,(H,23,26,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148793 (CHEMBL3770258) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3cccc4cc(Cl)ccc34)s2)n1 Show InChI InChI=1S/C22H19ClN4OS2/c1-13-8-14(2)26-22(25-13)29-12-20(28)27-21-24-11-18(30-21)10-16-5-3-4-15-9-17(23)6-7-19(15)16/h3-9,11H,10,12H2,1-2H3,(H,24,27,28)	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	480	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148794 (CHEMBL3771278) Show SMILES CCC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C24H24N4OS2/c1-4-21(31-24-26-15(2)12-16(3)27-24)22(29)28-23-25-14-19(30-23)13-18-10-7-9-17-8-5-6-11-20(17)18/h5-12,14,21H,4,13H2,1-3H3,(H,25,28,29)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148795 (CHEMBL3769999) Show SMILES CC(Sc1nc(C)cc(C)n1)C(=O)Nc1ncc(Cc2cccc3ccc(Cl)cc23)s1 Show InChI InChI=1S/C23H21ClN4OS2/c1-13-9-14(2)27-23(26-13)30-15(3)21(29)28-22-25-12-19(31-22)10-17-6-4-5-16-7-8-18(24)11-20(16)17/h4-9,11-12,15H,10H2,1-3H3,(H,25,28,29)	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	540	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM3175 (3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human N-terminally His6-tagged Sirt2 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346550 (CHEMBL270110) Show SMILES Cc1ccc(cc1)[C@H]1CC(=O)Oc2ccc3cc(C)ccc3c12 Show InChI InChI=1S/C21H18O2/c1-13-3-6-15(7-4-13)18-12-20(22)23-19-10-8-16-11-14(2)5-9-17(16)21(18)19/h3-11,18H,12H2,1-2H3/t18-/m1/s1	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of SIRT2				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50373763 (CHEMBL270292) Show SMILES Brc1ccc2c3C(CC(=O)Oc3ccc2c1)c1ccccc1 |w:6.18| Show InChI InChI=1S/C19H13BrO2/c20-14-7-8-15-13(10-14)6-9-17-19(15)16(11-18(21)22-17)12-4-2-1-3-5-12/h1-10,16H,11H2	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50336799 (5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...) Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O 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/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant human SIRT2 using MPSDKTIGG as substrate by liquid scintillation counting analysis in presence of [3H]-acetic ac...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM27507 (3-Pyridinecarboxamide | CHEMBL1140 | NAM | niacina...) Show SMILES NC(=O)c1cccnc1 Show InChI InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148803 (CHEMBL3771012) Show SMILES CCOc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)c1 Show InChI InChI=1S/C20H22N4O2S2/c1-4-26-16-7-5-6-15(9-16)10-17-11-21-19(28-17)24-18(25)12-27-20-22-13(2)8-14(3)23-20/h5-9,11H,4,10,12H2,1-3H3,(H,21,24,25)	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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148827 (CHEMBL3769975) Show SMILES COc1ccc2ccccc2c1Cn1cnc2sc3CC(CCc3c2c1=O)NCc1cccnc1 Show InChI InChI=1S/C28H26N4O2S/c1-34-24-11-8-19-6-2-3-7-21(19)23(24)16-32-17-31-27-26(28(32)33)22-10-9-20(13-25(22)35-27)30-15-18-5-4-12-29-14-18/h2-8,11-12,14,17,20,30H,9-10,13,15-16H2,1H3	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT2 using RHKK(Ac)-AMC as substrate preincubated for 10 mins followed by substrate addition by fluorescence assay				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148796 (CHEMBL3770983) Show SMILES Cc1ccnc(SCC(=O)Nc2ncc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C21H18N4OS2/c1-14-9-10-22-20(24-14)27-13-19(26)25-21-23-12-17(28-21)11-16-7-4-6-15-5-2-3-8-18(15)16/h2-10,12H,11,13H2,1H3,(H,23,25,26)	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	1.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148804 (CHEMBL3770654) Show SMILES Cc1cccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)c1 Show InChI InChI=1S/C19H20N4OS2/c1-12-5-4-6-15(7-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148753 (CHEMBL3770429) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2nnc(Cc3cccc4ccccc34)s2)n1 Show InChI InChI=1S/C21H19N5OS2/c1-13-10-14(2)23-20(22-13)28-12-18(27)24-21-26-25-19(29-21)11-16-8-5-7-15-6-3-4-9-17(15)16/h3-10H,11-12H2,1-2H3,(H,24,26,27)	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	1.89E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148797 (CHEMBL3769691) Show SMILES CC(Sc1ncccn1)C(=O)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C21H18N4OS2/c1-14(27-20-22-10-5-11-23-20)19(26)25-21-24-13-17(28-21)12-16-8-4-7-15-6-2-3-9-18(15)16/h2-11,13-14H,12H2,1H3,(H,24,25,26)	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	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400733 (CHEMBL2203548) Show SMILES Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl Show InChI InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148798 (CHEMBL3770426) Show SMILES O=C(CSc1ncccn1)Nc1ncc(Cc2cccc3ccccc23)s1 Show InChI InChI=1S/C20H16N4OS2/c25-18(13-26-19-21-9-4-10-22-19)24-20-23-12-16(27-20)11-15-7-3-6-14-5-1-2-8-17(14)15/h1-10,12H,11,13H2,(H,23,24,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148805 (CHEMBL3771035) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccc(Cl)cc3)s2)n1 Show InChI InChI=1S/C18H17ClN4OS2/c1-11-7-12(2)22-18(21-11)25-10-16(24)23-17-20-9-15(26-17)8-13-3-5-14(19)6-4-13/h3-7,9H,8,10H2,1-2H3,(H,20,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400732 (CHEMBL2203543) Show SMILES Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C18H13BrN2O3S/c19-13-5-1-12(2-6-13)10-24-14-7-3-11(4-8-14)9-15-16(22)20-18(25)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,25)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400731 (CHEMBL2203547) Show SMILES Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-2-8(12(10)17)11-5-4-7(22-11)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148828 (CHEMBL3770979) 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 PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human SIRT2 by fluorometric assay				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM3175 (3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluore...				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400731 (CHEMBL2203547) Show SMILES Clc1cccc(-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)o2)c1Cl Show InChI InChI=1S/C15H8Cl2N2O3S/c16-10-3-1-2-8(12(10)17)11-5-4-7(22-11)6-9-13(20)18-15(23)19-14(9)21/h1-6H,(H2,18,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50400734 (CHEMBL1591531) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |w:18.19,t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT3 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM3175 (3-[1-[3-(Amidinothio)propyl]-3-indolyl]-4-(1-methy...) Show SMILES Cn1cc(C2=C(C(=O)NC2=O)c2cn(CCCSC(N)=N)c3ccccc23)c2ccccc12 |t:4| Show InChI InChI=1S/C25H23N5O2S/c1-29-13-17(15-7-2-4-9-19(15)29)21-22(24(32)28-23(21)31)18-14-30(11-6-12-33-25(26)27)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12H2,1H3,(H3,26,27)(H,28,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human C-terminally His6-tagged Sirt3 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148776 (CHEMBL3769988) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2ncc(Cc3ccccc3)s2)n1 Show InChI InChI=1S/C18H18N4OS2/c1-12-8-13(2)21-18(20-12)24-11-16(23)22-17-19-10-15(25-17)9-14-6-4-3-5-7-14/h3-8,10H,9,11H2,1-2H3,(H,19,22,23)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50148806 (CHEMBL3769677) Show SMILES Cc1ccc(Cc2cnc(NC(=O)CSc3nc(C)cc(C)n3)s2)cc1 Show InChI InChI=1S/C19H20N4OS2/c1-12-4-6-15(7-5-12)9-16-10-20-18(26-16)23-17(24)11-25-19-21-13(2)8-14(3)22-19/h4-8,10H,9,11H2,1-3H3,(H,20,23,24)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.72E+3	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of N-terminal his6-tagged human SIRT2 (25 to 389 amino acids) using ZMAL as substrate after 4 hrs by fluorescence-based microplate reader ...				J Med Chem 59: 1599-612 (2016) Article DOI: 10.1021/acs.jmedchem.5b01517 BindingDB Entry DOI: 10.7270/Q2HX1FH2
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346546 (CHEMBL1797926) Show SMILES [NH3+]CCn1c2ccc(cc2[nH]c1=S)[N+]([O-])=O Show InChI InChI=1S/C9H10N4O2S/c10-3-4-12-8-2-1-6(13(14)15)5-7(8)11-9(12)16/h1-2,5H,3-4,10H2,(H,11,16)/p+1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human N-terminally His6-tagged Sirt2 using ZMAL as substrate after 4 hrs by homogeneous fluorescent deacetylase assay				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400733 (CHEMBL2203548) Show SMILES Clc1cccc(-c2ccc(\C=C3/C(=O)NC(=S)N(CC=C)C3=O)o2)c1Cl Show InChI InChI=1S/C18H12Cl2N2O3S/c1-2-8-22-17(24)12(16(23)21-18(22)26)9-10-6-7-14(25-10)11-4-3-5-13(19)15(11)20/h2-7,9H,1,8H2,(H,21,23,26)/b12-9+	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	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400724 (CHEMBL1714005) Show SMILES O=C1NC(=S)NC(=O)C1=Cc1c[nH]c2ccccc12 |(.91,-.4,;.44,-1.87,;-1.07,-2.19,;-1.55,-3.65,;-3.05,-3.97,;-.51,-4.8,;.99,-4.48,;2.02,-5.62,;1.47,-3.01,;2.97,-2.69,;3.45,-1.23,;2.54,.02,;3.45,1.26,;4.91,.79,;6.25,1.56,;7.58,.79,;7.58,-.75,;6.25,-1.52,;4.91,-.75,)| Show InChI InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)5-7-6-14-10-4-2-1-3-8(7)10/h1-6,14H,(H2,15,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400723 (CHEMBL2203546) Show SMILES [#6]-[#8]-c1ccc2c(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cccc2c1 Show InChI InChI=1S/C16H12N2O3S/c1-21-11-5-6-12-9(7-11)3-2-4-10(12)8-13-14(19)17-16(22)18-15(13)20/h2-8H,1H3,(H2,17,18,19,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50400732 (CHEMBL2203543) Show SMILES Brc1ccc(-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C18H13BrN2O3S/c19-13-5-1-12(2-6-13)10-24-14-7-3-11(4-8-14)9-15-16(22)20-18(25)21-17(15)23/h1-9H,10H2,(H2,20,21,22,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL 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
TBA Curated by ChEMBL					Assay Description Inhibition of SIRT5 using ZK(suc)A substrate after 1 hr by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50400730 (CHEMBL2203544) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-13-17(23)21-19(27)22-18(13)24)6-7-15(16)26-10-12-4-2-3-5-14(12)20/h2-9H,10H2,1H3,(H2,21,22,23,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT1 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50400730 (CHEMBL2203544) Show SMILES [#6]-[#8]-c1cc(\[#6]=[#6]-2\[#6](=O)-[#7]-[#6](=S)-[#7]-[#6]-2=O)ccc1-[#8]-[#6]-c1ccccc1Cl Show InChI InChI=1S/C19H15ClN2O4S/c1-25-16-9-11(8-13-17(23)21-19(27)22-18(13)24)6-7-15(16)26-10-12-4-2-3-5-14(12)20/h2-9H,10H2,1H3,(H2,21,22,23,24,27)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50346546 (CHEMBL1797926) Show SMILES [NH3+]CCn1c2ccc(cc2[nH]c1=S)[N+]([O-])=O Show InChI InChI=1S/C9H10N4O2S/c10-3-4-12-8-2-1-6(13(14)15)5-7(8)11-9(12)16/h1-2,5H,3-4,10H2,(H,11,16)/p+1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluore...				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50346551 (CHEMBL1795371) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]/c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C17H12N2O2S/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)	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	8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant SIRT2 using ZMAL substrate after 4 hrs by homogeneous fluorescence assay				ACS Med Chem Lett 3: 1050-1053 (2012) Article DOI: 10.1021/ml3002709 BindingDB Entry DOI: 10.7270/Q29C6ZKP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM74978 (1,3-dihydrobenzo[e]benzimidazole-2-thione | CHEMBL...) Show SMILES S=c1[nH]c2ccc3ccccc3c2[nH]1 Show InChI InChI=1S/C11H6N2S/c14-11-12-9-6-5-7-3-1-2-4-8(7)10(9)13-11/h1-6H	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ernst-Moritz-Arndt-University Greifswald Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminally GST-tagged Sirt1 expressed in Escherichia coli using ZMAL as substrate after 4 hrs by homogeneous fluore...				Bioorg Med Chem 19: 3669-77 (2011) Article DOI: 10.1016/j.bmc.2011.01.026 BindingDB Entry DOI: 10.7270/Q2XD121S
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 156 total )  |  Next  |  Last  >>

Jump to: