BDBM50535365 CHEMBL4531800

SMILES: CCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1

InChI Key: InChIKey=UXFMHSXPORPNFB-NRFANRHFSA-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 = 50535365   

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))	BDBM50535365 (CHEMBL4531800) Show SMILES CCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N4O4S/c1-2-14-25-23(33)26-15-7-6-13-21(22(30)27-19-11-8-12-20(29)16-19)28-24(31)32-17-18-9-4-3-5-10-18/h3-5,8-12,16,21,29H,2,6-7,13-15,17H2,1H3,(H,27,30)(H,28,31)(H2,25,26,33)/t21-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human SIRT1 deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by substrate addition and measure...				J Med Chem 62: 4131-4141 (2019) Article DOI: 10.1021/acs.jmedchem.9b00191
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2 (Homo sapiens (Human))	BDBM50535365 (CHEMBL4531800) Show SMILES CCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N4O4S/c1-2-14-25-23(33)26-15-7-6-13-21(22(30)27-19-11-8-12-20(29)16-19)28-24(31)32-17-18-9-4-3-5-10-18/h3-5,8-12,16,21,29H,2,6-7,13-15,17H2,1H3,(H,27,30)(H,28,31)(H2,25,26,33)/t21-/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	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His6-tagged/SUMO-fused SIRT2 (38 to 356 residues) expressed in Escherichia coli BL21 assessed as reduction...				J Med Chem 62: 4131-4141 (2019) Article DOI: 10.1021/acs.jmedchem.9b00191
					More data for this Ligand-Target Pair
NAD-dependent deacetylase sirtuin 3 (Homo sapiens (Human))	BDBM50535365 (CHEMBL4531800) Show SMILES CCCNC(=S)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc(O)c1 |r| Show InChI InChI=1S/C24H32N4O4S/c1-2-14-25-23(33)26-15-7-6-13-21(22(30)27-19-11-8-12-20(29)16-19)28-24(31)32-17-18-9-4-3-5-10-18/h3-5,8-12,16,21,29H,2,6-7,13-15,17H2,1H3,(H,27,30)(H,28,31)(H2,25,26,33)/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human SIRT3 assessed as reduction in deacetylase activity using acetylated H3K9 as substrate preincubated for 15 mins followed by subst...				J Med Chem 62: 4131-4141 (2019) Article DOI: 10.1021/acs.jmedchem.9b00191
					More data for this Ligand-Target Pair