Compile Data Set for Download or QSAR

Found 10 hits of ic50 data for polymerid = 10035   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50518648 (CHEMBL4438364) Show SMILES CCCCCCCCCCCCNC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C40H73N11O8/c1-2-3-4-5-6-7-8-9-10-15-24-44-32(52)21-13-11-12-19-31-39(59)50-29(37(41)57)18-14-16-25-45-35(55)27-47-33(53)22-23-34(54)48-28-36(56)49-30(38(58)51-31)20-17-26-46-40(42)43/h29-31H,2-28H2,1H3,(H2,41,57)(H,44,52)(H,45,55)(H,47,53)(H,48,54)(H,49,56)(H,50,59)(H,51,58)(H4,42,43,46)/t29-,30-,31-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	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
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of tRNA-activated deacetylation activity of recombinant human full length N-terminal His6-tagged SIRT7 expressed in Escherichia coli using...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023 BindingDB Entry DOI: 10.7270/Q20V8H65
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50518647 (CHEMBL4440955) Show SMILES CCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C39H72N12O7S/c1-2-3-4-5-6-7-8-9-10-13-23-45-39(59)46-24-15-12-18-30-37(58)50-28(35(40)56)17-11-14-22-43-33(54)26-47-31(52)20-21-32(53)48-27-34(55)49-29(36(57)51-30)19-16-25-44-38(41)42/h28-30H,2-27H2,1H3,(H2,40,56)(H,43,54)(H,47,52)(H,48,53)(H,49,55)(H,50,58)(H,51,57)(H4,41,42,44)(H2,45,46,59)/t28-,29-,30-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.11E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of tRNA-activated deacetylation activity of recombinant human full length N-terminal His6-tagged SIRT7 expressed in Escherichia coli using...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023 BindingDB Entry DOI: 10.7270/Q20V8H65
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50545085 (CHEMBL4643590) Show SMILES [H][C@]1(Cc2ccc(OCCCC(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N1)cc2)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@]1([H])Cc2ccc(OCCCCCNC(=O)[C@H](CCSC)NC1=O)cc2 |r| Show InChI InChI=1S/C46H63N9O8S2/c1-30(64)48-20-6-4-9-36(43(58)54-38-25-31-11-15-34(16-12-31)62-22-7-3-5-21-49-42(57)37(19-24-65-2)53-45(38)60)52-44(59)39-26-32-13-17-35(18-14-32)63-23-8-10-41(56)51-40(46(61)55-39)27-33-28-47-29-50-33/h11-18,28-29,36-40H,3-10,19-27H2,1-2H3,(H,47,50)(H,48,64)(H,49,57)(H,51,56)(H,52,59)(H,53,60)(H,54,58)(H,55,61)/t36-,37-,38-,39-,40-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Fudan University Curated by ChEMBL					Assay Description Inhibition of tRNA-activated His6-tagged human SIRT7 deacetylation activity using acetyl-lysine as substrate in presence of beta-NAD+ after 30 mins b...				Bioorg Med Chem 28: (2020) Article DOI: 10.1016/j.bmc.2020.115356 BindingDB Entry DOI: 10.7270/Q2222ZBR
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50518646 (CHEMBL4522166) Show SMILES CCCCCCCCCCCCCCNC(=S)NCCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CCC(=O)NCC(=O)NCCCC[C@H](NC1=O)C(N)=O |r| Show InChI InChI=1S/C41H76N12O7S/c1-2-3-4-5-6-7-8-9-10-11-12-15-25-47-41(61)48-26-17-14-20-32-39(60)52-30(37(42)58)19-13-16-24-45-35(56)28-49-33(54)22-23-34(55)50-29-36(57)51-31(38(59)53-32)21-18-27-46-40(43)44/h30-32H,2-29H2,1H3,(H2,42,58)(H,45,56)(H,49,54)(H,50,55)(H,51,57)(H,52,60)(H,53,59)(H4,43,44,46)(H2,47,48,61)/t30-,31-,32-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.53E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of tRNA-activated deacetylation activity of recombinant human full length N-terminal His6-tagged SIRT7 expressed in Escherichia coli using...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023 BindingDB Entry DOI: 10.7270/Q20V8H65
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50449710 (CHEMBL4170094) Show SMILES Cc1cc(C)nc(SCC(=O)Nc2cccc(COc3ccc(NC(=O)c4cnn(C)c4)cc3)c2)n1 Show InChI InChI=1S/C26H26N6O3S/c1-17-11-18(2)29-26(28-17)36-16-24(33)30-22-6-4-5-19(12-22)15-35-23-9-7-21(8-10-23)31-25(34)20-13-27-32(3)14-20/h4-14H,15-16H2,1-3H3,(H,30,33)(H,31,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
West China School of Pharmacy Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged SIRT7 (68 to 354 residues) expressed in Escherichia coli Transetta(DE3) using AcIQF as substra...				Eur J Med Chem 155: 806-823 (2018) Article DOI: 10.1016/j.ejmech.2018.06.041 BindingDB Entry DOI: 10.7270/Q21G0PTS
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM50528218 (CHEMBL4551664) Show SMILES COC(=O)c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)ccc1S(=O)(=O)Nc1cc(Br)c(F)cc1C Show InChI InChI=1S/C21H16BrCl2FN2O6S2/c1-11-5-18(25)17(22)10-19(11)27-35(31,32)20-4-3-14(9-16(20)21(28)33-2)26-34(29,30)15-7-12(23)6-13(24)8-15/h3-10,26-27H,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	1.87E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at adrenergic alpha1A receptor in rat tail artery				Citation and Details
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM234208 (US9359293, TM) Show SMILES CCCCCCCCCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C33H49N3O3S/c1-2-3-4-5-6-7-8-9-10-11-18-26-31(40)34-27-20-19-25-30(32(37)35-28-21-14-12-15-22-28)36-33(38)39-29-23-16-13-17-24-29/h12-17,21-24,30H,2-11,18-20,25-27H2,1H3,(H,34,40)(H,35,37)(H,36,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	8.0	n/a
CORNELL UNIVERSITY US Patent					Assay Description Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...				US Patent US9359293 (2016) BindingDB Entry DOI: 10.7270/Q2QC02CP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM234207 (US9359293, TH) Show SMILES CCCCCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C26H35N3O3S/c1-2-3-4-11-19-24(33)27-20-13-12-18-23(25(30)28-21-14-7-5-8-15-21)29-26(31)32-22-16-9-6-10-17-22/h5-10,14-17,23H,2-4,11-13,18-20H2,1H3,(H,27,33)(H,28,30)(H,29,31)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	8.0	n/a
CORNELL UNIVERSITY US Patent					Assay Description Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...				US Patent US9359293 (2016) BindingDB Entry DOI: 10.7270/Q2QC02CP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM234206 (US9359293, TB) Show SMILES CCCC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C23H29N3O3S/c1-2-11-21(30)24-17-10-9-16-20(22(27)25-18-12-5-3-6-13-18)26-23(28)29-19-14-7-4-8-15-19/h3-8,12-15,20H,2,9-11,16-17H2,1H3,(H,24,30)(H,25,27)(H,26,28)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	8.0	n/a
CORNELL UNIVERSITY US Patent					Assay Description Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...				US Patent US9359293 (2016) BindingDB Entry DOI: 10.7270/Q2QC02CP
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (Homo sapiens (Human))	BDBM234205 (US9359293, TA) Show SMILES CC(=S)NCCCCC(NC(=O)Oc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C21H25N3O3S/c1-16(28)22-15-9-8-14-19(20(25)23-17-10-4-2-5-11-17)24-21(26)27-18-12-6-3-7-13-18/h2-7,10-13,19H,8-9,14-15H2,1H3,(H,22,28)(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>2.05E+5	n/a	n/a	n/a	n/a	8.0	n/a
CORNELL UNIVERSITY US Patent					Assay Description Different concentrations of TA, TB, TH, or TM were pre-incubated with 1 μM of the sirtuin and 1 mM NAD in 20 mM Tris-HCl buffer (pH 8.0) with 1 ...				US Patent US9359293 (2016) BindingDB Entry DOI: 10.7270/Q2QC02CP
					More data for this Ligand-Target Pair