BDBM50518648 CHEMBL4438364

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

InChI Key: InChIKey=CMBYZABOYISXFV-CHQNGUEUSA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50518648   

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 deacetylase sirtuin 3 (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of deacetylation activity of recombinant human N-terminal His6-tagged SIRT3 (101 to 399 residues) expressed in Escherichia coli using H2N-...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-7 (SIRT7) (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
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (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 UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of desuccinylation activity of recombinant human full length N-terminal GST-tagged SIRT5 expressed in Escherichia coli using CH3CONH-AR-[N...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (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 MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of deacetylation activity of recombinant human N-terminal His6-tagged SIRT2 (2 to 389 residues) expressed in Escherichia coli using H2N-HK...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023
					More data for this Ligand-Target Pair
Sirtuin-6 (SIRT6) (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 antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of demyristoylation activity of recombinant human full length N-terminal His6-tagged SIRT6 expressed in Escherichia coli using H2N-EALPK-[...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of recombinant human SIRT1 deacetylase activity using H2N-HK-[Nepsilon-acetyl-lysine]-LM-COOH as substrate measured after 10 mins by HPLC ...				Bioorg Med Chem Lett 29: 461-465 (2019) Article DOI: 10.1016/j.bmcl.2018.12.023
					More data for this Ligand-Target Pair