BDBM50425976 CHEMBL2314709

SMILES: COc1cc2c(C(=O)c3ccc(Br)cc3)c(C)oc2c2ccccc12

InChI Key: InChIKey=CXMINPBJPKRYHS-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50425976   

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))	BDBM50425976 (CHEMBL2314709) Show SMILES COc1cc2c(C(=O)c3ccc(Br)cc3)c(C)oc2c2ccccc12 Show InChI InChI=1S/C21H15BrO3/c1-12-19(20(23)13-7-9-14(22)10-8-13)17-11-18(24-2)15-5-3-4-6-16(15)21(17)25-12/h3-11H,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of N-terminal His6-tagged SIRT1 coding region (156-664) (unknown origin) expressed in Escherichia coli BL21(DE3) using 31.25 uM ac-RHKKac-...				Eur J Med Chem 60: 441-50 (2013) Article DOI: 10.1016/j.ejmech.2012.12.026 BindingDB Entry DOI: 10.7270/Q2WW7K0B
					More data for this Ligand-Target Pair