Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacetylase sirtuin-3, mitochondrial' and Ligand = 'BDBM50502268'   

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-3, mitochondrial (Homo sapiens (Human))	BDBM50502268 (CHEMBL4447813) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O8/c1-4-30(2)42(62-46(71)37(58-31(3)65)15-10-26-56-48(51)52)47(72)60-38(14-8-9-25-55-41(67)29-33-17-21-35(22-18-33)64-63-34-12-6-5-7-13-34)44(69)59-39(16-11-27-57-49(53)54)45(70)61-40(43(50)68)28-32-19-23-36(66)24-20-32/h5-7,12-13,17-24,30,37-40,42,66H,4,8-11,14-16,25-29H2,1-3H3,(H2,50,68)(H,55,67)(H,58,65)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H4,51,52,56)(H4,53,54,57)/b64-63+/t30-,37-,38-,39-,40-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant human SIRT3 (118 to 399 residues) defatty-acylase activity expressed in Escherichia coli using SFP3 as substrate measured a...				J Med Chem 62: 5434-5452 (2019) Article DOI: 10.1021/acs.jmedchem.9b00315 BindingDB Entry DOI: 10.7270/Q2HH6P91
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50502268 (CHEMBL4447813) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)Cc1ccc(cc1)\N=N\c1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C49H71N15O8/c1-4-30(2)42(62-46(71)37(58-31(3)65)15-10-26-56-48(51)52)47(72)60-38(14-8-9-25-55-41(67)29-33-17-21-35(22-18-33)64-63-34-12-6-5-7-13-34)44(69)59-39(16-11-27-57-49(53)54)45(70)61-40(43(50)68)28-32-19-23-36(66)24-20-32/h5-7,12-13,17-24,30,37-40,42,66H,4,8-11,14-16,25-29H2,1-3H3,(H2,50,68)(H,55,67)(H,58,65)(H,59,69)(H,60,72)(H,61,70)(H,62,71)(H4,51,52,56)(H4,53,54,57)/b64-63+/t30-,37-,38-,39-,40-,42-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of recombinant human SIRT3 (118 to 399 residues) demyristoylase activity expressed in Escherichia coli using p53(Myr)-AMC as substrate mea...				J Med Chem 62: 5434-5452 (2019) Article DOI: 10.1021/acs.jmedchem.9b00315 BindingDB Entry DOI: 10.7270/Q2HH6P91
					More data for this Ligand-Target Pair