null

SMILES: [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2

InChI Key: InChIKey=FFNLOFCIWKDQQZ-JWILAOJCSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50255714   

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 deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255714 (CHEMBL4064460) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	14	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 Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV...				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))	BDBM50255714 (CHEMBL4064460) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.120	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 Binding affinity to human N-terminal biotinylated SIRT5 by surface plasmon resonance spectroscopy				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))	BDBM50255714 (CHEMBL4064460) Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r| Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	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