BDBM50152067 CHEMBL3781397

SMILES: CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O

InChI Key: InChIKey=DCTRQERVJUJWET-XYPUQJIVSA-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 = 50152067   

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-1 (Homo sapiens (Human))	BDBM50152067 (CHEMBL3781397) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C45H80N12O10S2/c1-30(58)53-33-17-10-14-25-49-39(61)28-51-37(59)20-6-4-5-7-21-38(60)52-29-40(62)50-26-15-11-19-35(43(65)54-32(41(47)63)22-27-69-3)56-45(67)36(18-9-13-24-48-31(2)68)57-44(66)34(55-42(33)64)16-8-12-23-46/h32-36H,4-29,46H2,1-3H3,(H2,47,63)(H,48,68)(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,58)(H,54,65)(H,55,64)(H,56,67)(H,57,66)/t32-,33-,34-,35-,36-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of recombinant GST-tagged human SIRT1 using 0.3 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC anal...				Bioorg Med Chem Lett 26: 1612-7 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B9J
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3) (Homo sapiens (Human))	BDBM50152067 (CHEMBL3781397) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C45H80N12O10S2/c1-30(58)53-33-17-10-14-25-49-39(61)28-51-37(59)20-6-4-5-7-21-38(60)52-29-40(62)50-26-15-11-19-35(43(65)54-32(41(47)63)22-27-69-3)56-45(67)36(18-9-13-24-48-31(2)68)57-44(66)34(55-42(33)64)16-8-12-23-46/h32-36H,4-29,46H2,1-3H3,(H2,47,63)(H,48,68)(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,58)(H,54,65)(H,55,64)(H,56,67)(H,57,66)/t32-,33-,34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of recombinant His6 tagged human SIRT3 using 0.105 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 10 mins HPLC a...				Bioorg Med Chem Lett 26: 1612-7 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B9J
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50152067 (CHEMBL3781397) Show SMILES CSCC[C@H](NC(=O)[C@@H]1CCCCNC(=O)CNC(=O)CCCCCCC(=O)NCC(=O)NCCCC[C@H](NC(C)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCNC(C)=S)C(=O)N1)C(N)=O |r| Show InChI InChI=1S/C45H80N12O10S2/c1-30(58)53-33-17-10-14-25-49-39(61)28-51-37(59)20-6-4-5-7-21-38(60)52-29-40(62)50-26-15-11-19-35(43(65)54-32(41(47)63)22-27-69-3)56-45(67)36(18-9-13-24-48-31(2)68)57-44(66)34(55-42(33)64)16-8-12-23-46/h32-36H,4-29,46H2,1-3H3,(H2,47,63)(H,48,68)(H,49,61)(H,50,62)(H,51,59)(H,52,60)(H,53,58)(H,54,65)(H,55,64)(H,56,67)(H,57,66)/t32-,33-,34-,35-,36-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	144	n/a	n/a	n/a	n/a	n/a	n/a
Jiangsu University Curated by ChEMBL					Assay Description Inhibition of recombinant His6 tagged human SIRT2 using 0.39 mM H2N-HK-[N(epsilon)-acetyl-lysine]-LM-COOH as substrate measured after 12 mins HPLC an...				Bioorg Med Chem Lett 26: 1612-7 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B9J
					More data for this Ligand-Target Pair