BDBM50428980 CHEMBL491082

SMILES: O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1

InChI Key: InChIKey=HUPWJKZBMGOXCR-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 = 50428980   

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))	BDBM50428980 (CHEMBL491082) Show SMILES O=C(Nc1ccccc1-c1cn2c(CN3CCNCC3)csc2n1)c1cnc2ccccc2c1 Show InChI InChI=1S/C26H24N6OS/c33-25(19-13-18-5-1-3-7-22(18)28-14-19)29-23-8-4-2-6-21(23)24-16-32-20(17-34-26(32)30-24)15-31-11-9-27-10-12-31/h1-8,13-14,16-17,27H,9-12,15H2,(H,29,33)	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	680	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