BDBM50428986 CHEMBL489692

SMILES: O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1

InChI Key: InChIKey=YOUWCQRHYWCNRK-UHFFFAOYSA-N

Data: 1 EC50

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 1 hit for monomerid = 50428986   

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))	BDBM50428986 (CHEMBL489692) Show SMILES O=C(Cc1ccccc1)Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1 Show InChI InChI=1S/C24H25N5OS/c30-23(14-18-6-2-1-3-7-18)26-21-9-5-4-8-20(21)22-16-29-19(17-31-24(29)27-22)15-28-12-10-25-11-13-28/h1-9,16-17,25H,10-15H2,(H,26,30)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...				J Med Chem 56: 761-80 (2013) Article DOI: 10.1021/jm301032j BindingDB Entry DOI: 10.7270/Q2XP768M
					More data for this Ligand-Target Pair