BDBM50498600 CHEMBL3609653

SMILES: CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O

InChI Key: InChIKey=PXAOMJUHRZSTKS-UFYCRDLUSA-N

Data: 3 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 3 hits for monomerid = 50498600   

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 2 (Homo sapiens (Human))	BDBM50498600 (CHEMBL3609653) Show SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H41N7O6S/c1-14(31)25-11-7-5-9-18(28-16(3)33)22(35)29-19(10-6-8-12-26-17(4)37)23(36)30-20(21(24)34)13-27-15(2)32/h18-20H,5-13H2,1-4H3,(H2,24,34)(H,25,31)(H,26,37)(H,27,32)(H,28,33)(H,29,35)(H,30,36)/t18-,19-,20-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged SIRT2 after 12 mins by HPLC analysis in presence of beta-NAD				Bioorg Med Chem Lett 25: 3481-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.008 BindingDB Entry DOI: 10.7270/Q2GQ71R4
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 1 (Homo sapiens (Human))	BDBM50498600 (CHEMBL3609653) Show SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H41N7O6S/c1-14(31)25-11-7-5-9-18(28-16(3)33)22(35)29-19(10-6-8-12-26-17(4)37)23(36)30-20(21(24)34)13-27-15(2)32/h18-20H,5-13H2,1-4H3,(H2,24,34)(H,25,31)(H,26,37)(H,27,32)(H,28,33)(H,29,35)(H,30,36)/t18-,19-,20-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of human His6 or GST-tagged SIRT1 after 10 mins by HPLC analysis in presence of beta-NAD				Bioorg Med Chem Lett 25: 3481-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.008 BindingDB Entry DOI: 10.7270/Q2GQ71R4
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3 (Homo sapiens (Human))	BDBM50498600 (CHEMBL3609653) Show SMILES CC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N[C@@H](CNC(C)=O)C(N)=O |r| Show InChI InChI=1S/C23H41N7O6S/c1-14(31)25-11-7-5-9-18(28-16(3)33)22(35)29-19(10-6-8-12-26-17(4)37)23(36)30-20(21(24)34)13-27-15(2)32/h18-20H,5-13H2,1-4H3,(H2,24,34)(H,25,31)(H,26,37)(H,27,32)(H,28,33)(H,29,35)(H,30,36)/t18-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of human His6-tagged SIRT3 after 10 mins by HPLC analysis in presence of beta-NAD				Bioorg Med Chem Lett 25: 3481-7 (2015) Article DOI: 10.1016/j.bmcl.2015.07.008 BindingDB Entry DOI: 10.7270/Q2GQ71R4
					More data for this Ligand-Target Pair