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 = 'BDBM50502265'   

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))	BDBM50502265 (CHEMBL4461872) 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\c1ccc(cc1)N(CC)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C53H80N16O8/c1-6-33(4)46(66-50(76)41(62-34(5)70)14-11-29-60-52(55)56)51(77)64-42(48(74)63-43(15-12-30-61-53(57)58)49(75)65-44(47(54)73)31-35-18-26-40(71)27-19-35)13-9-10-28-59-45(72)32-36-16-20-37(21-17-36)67-68-38-22-24-39(25-23-38)69(7-2)8-3/h16-27,33,41-44,46,71H,6-15,28-32H2,1-5H3,(H2,54,73)(H,59,72)(H,62,70)(H,63,74)(H,64,77)(H,65,75)(H,66,76)(H4,55,56,60)(H4,57,58,61)/b68-67+/t33-,41-,42-,43-,44-,46-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	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))	BDBM50502265 (CHEMBL4461872) 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\c1ccc(cc1)N(CC)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r| Show InChI InChI=1S/C53H80N16O8/c1-6-33(4)46(66-50(76)41(62-34(5)70)14-11-29-60-52(55)56)51(77)64-42(48(74)63-43(15-12-30-61-53(57)58)49(75)65-44(47(54)73)31-35-18-26-40(71)27-19-35)13-9-10-28-59-45(72)32-36-16-20-37(21-17-36)67-68-38-22-24-39(25-23-38)69(7-2)8-3/h16-27,33,41-44,46,71H,6-15,28-32H2,1-5H3,(H2,54,73)(H,59,72)(H,62,70)(H,63,74)(H,64,77)(H,65,75)(H,66,76)(H4,55,56,60)(H4,57,58,61)/b68-67+/t33-,41-,42-,43-,44-,46-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	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