Compile Data Set for Download or QSAR

Found 37 hits Enz. Inhib. hit(s) with all data for entry = 50040554   

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	98	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1 using Ac-His-Arg-Lys-Lys(Ac)-AMC as substrate				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50000029 (4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...) 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)/p-6	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50000029 (4-Methyl-8-{4-methyl-3-[3-(3-{3-[2-methyl-5-(4,6,8...) 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)/p-6	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1 using p53-based 18mer as substrate				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1 by high throughput screening assay				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50300464 ((S)-benzyl 6-ethanethioamido-1-oxo-1-(phenylamino)...) Show SMILES CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1	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	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396055 (CHEMBL2170193) Show SMILES CCOC(=O)CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O6/c1-2-33-23(30)17-22(29)26-16-10-9-15-21(24(31)27-20-13-7-4-8-14-20)28-25(32)34-18-19-11-5-3-6-12-19/h3-8,11-14,21H,2,9-10,15-18H2,1H3,(H,26,29)(H,27,31)(H,28,32)/t21-/m0/s1	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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM55148 (5-(1H-indol-2-ylmethylene)-2-thioxo-hexahydropyrim...) Show SMILES O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)| Show InChI InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)6-8-5-7-3-1-2-4-10(7)14-8/h1-6,14H,(H2,15,16,17,18,19)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase 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
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50396053 (CHEMBL2170194) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12 Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)	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	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50396054 (CHEMBL1537405) Show SMILES Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(7.63,2.39,;6.3,3.16,;6.3,4.7,;4.97,5.47,;3.63,4.7,;2.3,5.47,;.97,4.7,;-.37,5.47,;.97,3.16,;-.37,2.39,;-.37,.85,;-1.7,.08,;-3.04,.85,;-1.7,-1.46,;-.37,-2.23,;-.37,-3.77,;.97,-1.46,;.97,.08,;2.3,.85,;2.3,2.39,;3.63,3.16,;4.97,2.39,)| Show InChI InChI=1S/C15H11N3O3S/c1-7-2-3-11-8(4-7)5-9(12(19)16-11)6-10-13(20)17-15(22)18-14(10)21/h2-6H,1H3,(H,16,19)(H2,17,18,20,21,22)	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	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM29042 (cambinol analog, 6b) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccc(Br)cc1 Show InChI InChI=1S/C21H15BrN2O2S/c22-14-8-5-13(6-9-14)19-17(20(26)24-21(27)23-19)11-16-15-4-2-1-3-12(15)7-10-18(16)25/h1-10,25H,11H2,(H2,23,24,26,27)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396054 (CHEMBL1537405) Show SMILES Cc1ccc2[nH]c(=O)c(C=C3C(=O)NC(=S)NC3=O)cc2c1 |(7.63,2.39,;6.3,3.16,;6.3,4.7,;4.97,5.47,;3.63,4.7,;2.3,5.47,;.97,4.7,;-.37,5.47,;.97,3.16,;-.37,2.39,;-.37,.85,;-1.7,.08,;-3.04,.85,;-1.7,-1.46,;-.37,-2.23,;-.37,-3.77,;.97,-1.46,;.97,.08,;2.3,.85,;2.3,2.39,;3.63,3.16,;4.97,2.39,)| Show InChI InChI=1S/C15H11N3O3S/c1-7-2-3-11-8(4-7)5-9(12(19)16-11)6-10-13(20)17-15(22)18-14(10)21/h2-6H,1H3,(H,16,19)(H2,17,18,20,21,22)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396053 (CHEMBL2170194) Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12 Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)	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	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50297159 (2-(phenylamino)benzamide | CHEMBL561194) Show SMILES NC(=O)c1ccccc1Nc1ccccc1 Show InChI InChI=1S/C13H12N2O/c14-13(16)11-8-4-5-9-12(11)15-10-6-2-1-3-7-10/h1-9,15H,(H2,14,16)	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	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair				3D Structure (crystal)
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM55148 (5-(1H-indol-2-ylmethylene)-2-thioxo-hexahydropyrim...) Show SMILES O=C1NC(=S)NC(=O)C1=Cc1cc2ccccc2[nH]1 |(8.1,-1.07,;9.64,-1.07,;10.41,-2.41,;11.95,-2.41,;12.72,-3.74,;12.72,-1.07,;11.95,.26,;12.72,1.59,;10.41,.26,;9.64,1.59,;8.1,1.59,;7.2,.35,;5.75,.82,;4.41,.05,;3.08,.82,;3.08,2.36,;4.41,3.13,;5.75,2.36,;7.2,2.83,)| Show InChI InChI=1S/C13H9N3O2S/c17-11-9(12(18)16-13(19)15-11)6-8-5-7-3-1-2-4-10(7)14-8/h1-6,14H,(H2,15,16,17,18,19)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50300464 ((S)-benzyl 6-ethanethioamido-1-oxo-1-(phenylamino)...) Show SMILES CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/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	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50303770 ((E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzyli...) Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br Show InChI InChI=1S/C15H7Br2Cl2NO2/c16-9-4-6(5-10(17)14(9)21)3-8-7-1-2-11(18)12(19)13(7)20-15(8)22/h1-5,21H,(H,20,22)/b8-3-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT3				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50309827 (CHEMBL597845 | Salermide) Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)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 Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50303770 ((E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzyli...) Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br Show InChI InChI=1S/C15H7Br2Cl2NO2/c16-9-4-6(5-10(17)14(9)21)3-8-7-1-2-11(18)12(19)13(7)20-15(8)22/h1-5,21H,(H,20,22)/b8-3-	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	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50303770 ((E/Z)-6,7-Dichloro-3-(3,5-dibromo-4-hydroxybenzyli...) Show SMILES Oc1c(Br)cc(\C=C2/C(=O)Nc3c2ccc(Cl)c3Cl)cc1Br Show InChI InChI=1S/C15H7Br2Cl2NO2/c16-9-4-6(5-10(17)14(9)21)3-8-7-1-2-11(18)12(19)13(7)20-15(8)22/h1-5,21H,(H,20,22)/b8-3-	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	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396052 (CHEMBL2170195) Show SMILES O=C1N(CCNCCCNCCCNCCN2C(=O)c3cccc4cccc(C2=O)c34)C(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C34H35N5O4/c40-31-25-11-1-7-23-8-2-12-26(29(23)25)32(41)38(31)21-19-36-17-5-15-35-16-6-18-37-20-22-39-33(42)27-13-3-9-24-10-4-14-28(30(24)27)34(39)43/h1-4,7-14,35-37H,5-6,15-22H2	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	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50309827 (CHEMBL597845 | Salermide) Show SMILES CC(C(=O)Nc1cccc(c1)\N=C\c1c(O)ccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C26H22N2O2/c1-18(19-8-3-2-4-9-19)26(30)28-22-12-7-11-21(16-22)27-17-24-23-13-6-5-10-20(23)14-15-25(24)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 Similars	Article PubMed	n/a	n/a	4.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM29040 (cambinol) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM29040 (cambinol) Show SMILES Oc1ccc2ccccc2c1Cc1c([nH]c(=S)[nH]c1=O)-c1ccccc1 Show InChI InChI=1S/C21H16N2O2S/c24-18-11-10-13-6-4-5-9-15(13)16(18)12-17-19(14-7-2-1-3-8-14)22-21(26)23-20(17)25/h1-11,24H,12H2,(H2,22,23,25,26)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2 (Homo sapiens (Human))	BDBM50396055 (CHEMBL2170193) Show SMILES CCOC(=O)CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O6/c1-2-33-23(30)17-22(29)26-16-10-9-15-21(24(31)27-20-13-7-4-8-14-20)28-25(32)34-18-19-11-5-3-6-12-19/h3-8,11-14,21H,2,9-10,15-18H2,1H3,(H,26,29)(H,27,31)(H,28,32)/t21-/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	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT2				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50300464 ((S)-benzyl 6-ethanethioamido-1-oxo-1-(phenylamino)...) Show SMILES CC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C22H27N3O3S/c1-17(29)23-15-9-8-14-20(21(26)24-19-12-6-3-7-13-19)25-22(27)28-16-18-10-4-2-5-11-18/h2-7,10-13,20H,8-9,14-16H2,1H3,(H,23,29)(H,24,26)(H,25,27)/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT3				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					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	1.23E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50396055 (CHEMBL2170193) Show SMILES CCOC(=O)CC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O6/c1-2-33-23(30)17-22(29)26-16-10-9-15-21(24(31)27-20-13-7-4-8-14-20)28-25(32)34-18-19-11-5-3-6-12-19/h3-8,11-14,21H,2,9-10,15-18H2,1H3,(H,26,29)(H,27,31)(H,28,32)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Inhibition of SIRT3				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396047 (CHEMBL482551) Show SMILES O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 Show InChI InChI=1S/C22H15N5O/c28-22(20-13-23-16-9-3-4-10-17(16)24-20)27-15-8-2-1-7-14(15)21-25-18-11-5-6-12-19(18)26-21/h1-13H,(H,25,26)(H,27,28)	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	n/a	n/a	300	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396046 (CHEMBL482552) Show SMILES O=C(Nc1ccc(CN2CCNCC2)cc1-c1nc2ccccc2[nH]1)c1cnc2ccccc2n1 Show InChI InChI=1S/C27H25N7O/c35-27(25-16-29-21-5-1-2-6-22(21)30-25)33-20-10-9-18(17-34-13-11-28-12-14-34)15-19(20)26-31-23-7-3-4-8-24(23)32-26/h1-10,15-16,28H,11-14,17H2,(H,31,32)(H,33,35)	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	n/a	n/a	400	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396051 (CHEMBL470835) Show SMILES COc1ccc(cc1OC)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1 Show InChI InChI=1S/C21H17N3O4/c1-26-16-9-8-13(12-18(16)27-2)20(25)23-15-6-3-5-14(11-15)21-24-19-17(28-21)7-4-10-22-19/h3-12H,1-2H3,(H,23,25)	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	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396050 (CHEMBL470836) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1cccc(c1)-c1nc2ncccc2o1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)17-9-4-6-14(13-17)20(26)23-16-8-3-7-15(12-16)21-24-19-18(27-21)10-5-11-22-19/h3-13H,1-2H3,(H,23,26)	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	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396049 (CHEMBL473881) Show SMILES COc1ccc(cc1OC)C(=O)Nc1ccccc1-c1nc2ncccc2o1 Show InChI InChI=1S/C21H17N3O4/c1-26-16-10-9-13(12-18(16)27-2)20(25)23-15-7-4-3-6-14(15)21-24-19-17(28-21)8-5-11-22-19/h3-12H,1-2H3,(H,23,25)	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	n/a	n/a	900	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1 (Homo sapiens (Human))	BDBM50396048 (CHEMBL483942) Show SMILES CN(C)c1cccc(c1)C(=O)Nc1ccccc1-c1nc2ncccc2o1 Show InChI InChI=1S/C21H18N4O2/c1-25(2)15-8-5-7-14(13-15)20(26)23-17-10-4-3-9-16(17)21-24-19-18(27-21)11-6-12-22-19/h3-13H,1-2H3,(H,23,26)	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	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
Sirtris, A GSK Company Curated by ChEMBL					Assay Description Activation of SIRT1				J Med Chem 54: 417-32 (2011) Article DOI: 10.1021/jm100861p BindingDB Entry DOI: 10.7270/Q25X2B28
					More data for this Ligand-Target Pair