Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacylase sirtuin-5, mitochondrial' and Ligand = 'BDBM50255693'   

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 deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255693 (CHEMBL4073655) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255693 (CHEMBL4073655) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
					More data for this Ligand-Target Pair